1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide

C22H18N6O — CID 78892323

IUPAC1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3nc4ccccc4n3-c3ccccc3)cc12
InChIInChI=1S/C22H18N6O/c1-14-17-12-15(13-23-20(17)27(2)26-14)21(29)25-22-24-18-10-6-7-11-19(18)28(22)16-8-4-3-5-9-16/h3-13H,1-2H3,(H,24,25,29)
InChIKeyOQOIFTSKDLSALX-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.87
Rot. Bonds3

About 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78892323) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78892323
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3nc4ccccc4n3-c3ccccc3)cc12
InChIInChI=1S/C22H18N6O/c1-14-17-12-15(13-23-20(17)27(2)26-14)21(29)25-22-24-18-10-6-7-11-19(18)28(22)16-8-4-3-5-9-16/h3-13H,1-2H3,(H,24,25,29)
InChIKeyOQOIFTSKDLSALX-UHFFFAOYSA-N
XLogP3.87
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 52655711
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 71866323
1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78865591
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
1,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 87010918
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide (CID 78892323) is 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3nc4ccccc4n3-c3ccccc3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OQOIFTSKDLSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-14-17-12-15(13-23-20(17)27(2)26-14)21(29)25-22-24-18-10-6-7-11-19(18)28(22)16-8-4-3-5-9-16/h3-13H,1-2H3,(H,24,25,29).
What are the key properties of 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78892323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).