1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

C23H20N6O — CID 52655711

IUPAC1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H20N6O/c1-14-13-17(20-15(2)27-28(3)21(20)24-14)22(30)26-23-25-18-11-7-8-12-19(18)29(23)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,25,26,30)
InChIKeySLNNGSMUNNFXTB-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.18
Rot. Bonds3

About 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 52655711) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID52655711
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H20N6O/c1-14-13-17(20-15(2)27-28(3)21(20)24-14)22(30)26-23-25-18-11-7-8-12-19(18)29(23)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,25,26,30)
InChIKeySLNNGSMUNNFXTB-UHFFFAOYSA-N
XLogP4.18
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78892323
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 34058388
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173
1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 91821502
N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55857031
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264
1,3,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609438

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 52655711) is 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is SLNNGSMUNNFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-14-13-17(20-15(2)27-28(3)21(20)24-14)22(30)26-23-25-18-11-7-8-12-19(18)29(23)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,25,26,30).
What are the key properties of 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52655711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).