3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile

C19H16N8 — CID 176928219

IUPAC3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile
SMILESCc1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3nnccc3C#N)cc12
InChIInChI=1S/C19H16N8/c1-12-3-2-7-27-16(12)9-15(25-27)18-17-14(21-11-22-17)5-8-26(18)19-13(10-20)4-6-23-24-19/h2-4,6-7,9,11,18H,5,8H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyPUNLWIQCHAZVOZ-GOSISDBHSA-N
MW356.39 g/mol
LogP2.18
Rot. Bonds2

About 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile

3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile (PubChem CID 176928219) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile
PubChem CID176928219
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile
SMILESCc1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3nnccc3C#N)cc12
InChIInChI=1S/C19H16N8/c1-12-3-2-7-27-16(12)9-15(25-27)18-17-14(21-11-22-17)5-8-26(18)19-13(10-20)4-6-23-24-19/h2-4,6-7,9,11,18H,5,8H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyPUNLWIQCHAZVOZ-GOSISDBHSA-N
XLogP2.18
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile 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-methyl-6-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 176928797
3-amino-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
CID 176928285
4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile
CID 176928372
2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 176928821
2-cyclopropyl-5-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170333480
2-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 170332873
2-(3-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165687
2-(1,1-difluoroethyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166049
2-(1-methylcyclopropyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165355
2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166091
[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-[5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 176928515
2-[(4S)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 169165861

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile (CID 176928219) is 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile is Cc1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3nnccc3C#N)cc12.
What is the InChIKey of 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile?
The InChIKey is PUNLWIQCHAZVOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16N8/c1-12-3-2-7-27-16(12)9-15(25-27)18-17-14(21-11-22-17)5-8-26(18)19-13(10-20)4-6-23-24-19/h2-4,6-7,9,11,18H,5,8H2,1H3,(H,21,22)/t18-/m1/s1.
What are the key properties of 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile?
3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 176928219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).