3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

C22H15N7OS — CID 169167557

IUPAC3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1ccn2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4ccccc4s3)c2c1
InChIInChI=1S/C22H15N7OS/c23-10-13-5-8-29-17(9-13)14(11-26-29)22(30)28-7-6-16-19(25-12-24-16)20(28)21-27-15-3-1-2-4-18(15)31-21/h1-5,8-9,11-12,20H,6-7H2,(H,24,25)/t20-/m0/s1
InChIKeyAVVJJNOHMWGQSF-FQEVSTJZSA-N
MW425.48 g/mol
LogP3.33
Rot. Bonds2

About 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 169167557) has the molecular formula C22H15N7OS and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID169167557
Molecular FormulaC22H15N7OS
Molecular Weight425.48 g/mol
Exact Mass425.11
IUPAC Name3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1ccn2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4ccccc4s3)c2c1
InChIInChI=1S/C22H15N7OS/c23-10-13-5-8-29-17(9-13)14(11-26-29)22(30)28-7-6-16-19(25-12-24-16)20(28)21-27-15-3-1-2-4-18(15)31-21/h1-5,8-9,11-12,20H,6-7H2,(H,24,25)/t20-/m0/s1
InChIKeyAVVJJNOHMWGQSF-FQEVSTJZSA-N
XLogP3.33
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-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

[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169167488
3-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 176763589
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-phenyl-1,3-thiazol-2-yl)methanone
CID 169167470
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167043
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 169167559
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 176763576
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone
CID 169167637
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-ethyl-1,2,4-triazol-3-yl)methanone
CID 176763595
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2,2-difluorocyclopropyl)methanone
CID 169167695
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169167623
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-cyclopropyl-1,3-thiazol-5-yl)methanone
CID 176763637
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methanone
CID 169167068

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The IUPAC name of 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (CID 169167557) is 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The canonical SMILES for 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is N#Cc1ccn2ncc(C(=O)N3CCc4[nH]cnc4[C@H]3c3nc4ccccc4s3)c2c1.
What is the InChIKey of 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The InChIKey is AVVJJNOHMWGQSF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H15N7OS/c23-10-13-5-8-29-17(9-13)14(11-26-29)22(30)28-7-6-16-19(25-12-24-16)20(28)21-27-15-3-1-2-4-18(15)31-21/h1-5,8-9,11-12,20H,6-7H2,(H,24,25)/t20-/m0/s1.
What are the key properties of 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile has a molecular weight of 425.48 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 169167557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).