2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride

C20H21ClN6O — CID 171707452

IUPAC2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cc2n(n1)CCCNC2.Cl
InChIInChI=1S/C20H20N6O.ClH/c1-12-18(17-9-14-11-23-7-2-8-26(14)25-17)16(10-21)20(22)24-19(12)13-3-5-15(27)6-4-13;/h3-6,9,23,27H,2,7-8,11H2,1H3,(H2,22,24);1H
InChIKeyDXDXLTCKBMUVTD-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.00
Rot. Bonds2

About 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride

2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 171707452) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
PubChem CID171707452
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cc2n(n1)CCCNC2.Cl
InChIInChI=1S/C20H20N6O.ClH/c1-12-18(17-9-14-11-23-7-2-8-26(14)25-17)16(10-21)20(22)24-19(12)13-3-5-15(27)6-4-13;/h3-6,9,23,27H,2,7-8,11H2,1H3,(H2,22,24);1H
InChIKeyDXDXLTCKBMUVTD-UHFFFAOYSA-N
XLogP3.00
TPSA112.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(1,3-benzodioxol-5-yl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride
CID 171708251
acetic acid;2-amino-6-(2-fluoro-4-hydroxyphenyl)-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile
CID 171710032
ethyl 2-amino-3-cyano-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;hydrochloride
CID 171710660
7-amino-9-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-3,5-dihydro-2H-[1,4]dithiepino[6,5-b]pyridine-8-carbonitrile
CID 169415481
2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile
CID 169411353
acetic acid;2-amino-6-benzoyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 171708336
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-4-(5-ethylpyrazolidin-3-yl)-6-(4-hydroxyphenyl)-5-methylpyridine-3-carbonitrile
CID 137269976
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5159861
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride (CID 171707452) is 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride is Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cc2n(n1)CCCNC2.Cl.
What is the InChIKey of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is DXDXLTCKBMUVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.ClH/c1-12-18(17-9-14-11-23-7-2-8-26(14)25-17)16(10-21)20(22)24-19(12)13-3-5-15(27)6-4-13;/h3-6,9,23,27H,2,7-8,11H2,1H3,(H2,22,24);1H.
What are the key properties of 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride?
2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 396.88 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 171707452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).