3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

C25H24N6O — CID 38714091

IUPAC3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(C)n1ncc2cc(NC(=O)CCc3nc4ccccc4n3-c3ccccc3)cnc21
InChIInChI=1S/C25H24N6O/c1-17(2)31-25-18(15-27-31)14-19(16-26-25)28-24(32)13-12-23-29-21-10-6-7-11-22(21)30(23)20-8-4-3-5-9-20/h3-11,14-17H,12-13H2,1-2H3,(H,28,32)
InChIKeyNOTVBXLHGYDPCI-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.92
Rot. Bonds6

About 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 38714091) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID38714091
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(C)n1ncc2cc(NC(=O)CCc3nc4ccccc4n3-c3ccccc3)cnc21
InChIInChI=1S/C25H24N6O/c1-17(2)31-25-18(15-27-31)14-19(16-26-25)28-24(32)13-12-23-29-21-10-6-7-11-22(21)30(23)20-8-4-3-5-9-20/h3-11,14-17H,12-13H2,1-2H3,(H,28,32)
InChIKeyNOTVBXLHGYDPCI-UHFFFAOYSA-N
XLogP4.92
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60508285
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 46404473
tert-butyl N-[3-oxo-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]propyl]carbamate
CID 38714330
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55632468
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 81087136
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 38714091) is 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is CC(C)n1ncc2cc(NC(=O)CCc3nc4ccccc4n3-c3ccccc3)cnc21.
What is the InChIKey of 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is NOTVBXLHGYDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17(2)31-25-18(15-27-31)14-19(16-26-25)28-24(32)13-12-23-29-21-10-6-7-11-22(21)30(23)20-8-4-3-5-9-20/h3-11,14-17H,12-13H2,1-2H3,(H,28,32).
What are the key properties of 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 424.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 38714091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).