[4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

C22H16ClN7OS — CID 137109517

IUPAC[4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cccc5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C22H16ClN7OS/c1-30-9-12(16(10-31)29-30)13-5-6-15-20(24-13)21(28-27-15)22-25-14-4-2-3-11(19(14)26-22)17-7-8-18(23)32-17/h2-9,31H,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyMFTZUUINWKFVGW-UHFFFAOYSA-N
MW461.94 g/mol
LogP4.78
Rot. Bonds4

About [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol

[4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (PubChem CID 137109517) has the molecular formula C22H16ClN7OS and a molecular weight of 461.94 g/mol. Its IUPAC name is [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
PubChem CID137109517
Molecular FormulaC22H16ClN7OS
Molecular Weight461.94 g/mol
Exact Mass461.08
IUPAC Name[4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cccc5[nH]4)c3n2)c(CO)n1
InChIInChI=1S/C22H16ClN7OS/c1-30-9-12(16(10-31)29-30)13-5-6-15-20(24-13)21(28-27-15)22-25-14-4-2-3-11(19(14)26-22)17-7-8-18(23)32-17/h2-9,31H,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyMFTZUUINWKFVGW-UHFFFAOYSA-N
XLogP4.78
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.94
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol with MolForge

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Related Compounds

[1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
CID 137312429
[4-[3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137109575
[4-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137312194
N-[[5-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137109615
[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
CID 137110413
2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 145248708
N-[[5-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-cyclopentylmethanamine
CID 139424539
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109512
[4-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137312446
3-fluoro-5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137041868
5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109356
1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137087267

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol (CID 137109517) is [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol is Cn1cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cccc5[nH]4)c3n2)c(CO)n1.
What is the InChIKey of [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
The InChIKey is MFTZUUINWKFVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN7OS/c1-30-9-12(16(10-31)29-30)13-5-6-15-20(24-13)21(28-27-15)22-25-14-4-2-3-11(19(14)26-22)17-7-8-18(23)32-17/h2-9,31H,10H2,1H3,(H,25,26)(H,27,28).
What are the key properties of [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol?
[4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol has a molecular weight of 461.94 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 137109517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).