Responsive image

Common name

pyrazolo[1,5-a]pyrimidine-3-carbonitrile

IUPAC name

pyrazolo[1,5-a]pyrimidine-3-carbonitrile

SMILES

n12ncc(c1nccc2)C#N

Common name

pyrazolo[1,5-a]pyrimidine-3-carbonitrile

IUPAC name

pyrazolo[1,5-a]pyrimidine-3-carbonitrile

SMILES

n12ncc(c1nccc2)C#N

INCHI

InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H

FORMULA

C7H4N4

Responsive image

Common name

pyrazolo[1,5-a]pyrimidine-3-carbonitrile

IUPAC name

pyrazolo[1,5-a]pyrimidine-3-carbonitrile





Molecular weight

145.141

clogP

-0.672

clogS

-1.174

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

56.57

Number of Rings

2

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00817 Zaleplon Responsive image Hypnotics and Sedatives; Nervous System; Psycholeptics; Benzodiazepine Related Drugs; CYP3A4 Inhibitors; For the treatment of short-term treatment of insomnia in adults.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2vtm_ligand_frag_0.mol2 2vtm 1 -6.65 N#Cc1c[nH][n+]2cccnc12 11
2vts_ligand_frag_2.mol2 2vts 1 -6.63 c1ccnc2c(c[nH][n+]12)C#N 11
2vtm_ligand.mol2 2vtm 1 -6.53 N#Cc1cnn2cccnc12 12
3a2c_ligand_frag_2.mol2 3a2c 0.8125 -6.34 c1c(c[n+]2c(n1)cc[nH]2)C 10
2r3o_ligand_1_0.mol2 2r3o 0.80303 -6.58 C(O)c1c2[n+]([nH]c1)cccn2 11
1y91_ligand_1_3.mol2 1y91 0.779412 -7.25 C(C)(C)c1c2[n+](ccc[nH]2)[nH+]c1 12
2r3m_ligand_1_0.mol2 2r3m 0.779412 -6.87 c1(c2[n+]([nH]c1)cccn2)CC 11
4o70_ligand_1_5.mol2 4o70 0.779412 -6.48 C(C)c1c2nccc[n+]2[nH]c1 11
107 , 11