1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide

C28H28N8O — CID 166190915

IUPAC1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)Nc3ccc(N4CCN(C5CC5)CC4)cc3)cc12
InChIInChI=1S/C28H28N8O/c1-18-23-16-19(17-29-26(23)36(33-18)28-31-24-4-2-3-5-25(24)32-28)27(37)30-20-6-8-21(9-7-20)34-12-14-35(15-13-34)22-10-11-22/h2-9,16-17,22H,10-15H2,1H3,(H,30,37)(H,31,32)
InChIKeyGYZVLAQFZPQZGD-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.14
Rot. Bonds5

About 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide

1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 166190915) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID166190915
Molecular FormulaC28H28N8O
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)Nc3ccc(N4CCN(C5CC5)CC4)cc3)cc12
InChIInChI=1S/C28H28N8O/c1-18-23-16-19(17-29-26(23)36(33-18)28-31-24-4-2-3-5-25(24)32-28)27(37)30-20-6-8-21(9-7-20)34-12-14-35(15-13-34)22-10-11-22/h2-9,16-17,22H,10-15H2,1H3,(H,30,37)(H,31,32)
InChIKeyGYZVLAQFZPQZGD-UHFFFAOYSA-N
XLogP4.14
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide 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

1-(1H-benzimidazol-2-yl)-N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 166188460
ethyl 2-[5-[[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonyl]amino]indol-1-yl]acetate
CID 166195781
3-methyl-N-(4-methylphenyl)-1-piperidin-4-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 135253218
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901411
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
[1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-[3-[1-[(1S)-1-(2-bromophenyl)ethyl]triazol-4-yl]-3-fluoroazetidin-1-yl]methanone
CID 167816783
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917124
N-[4-[4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]-4-methoxybenzamide
CID 42318665

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 166190915) is 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)Nc3ccc(N4CCN(C5CC5)CC4)cc3)cc12.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GYZVLAQFZPQZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O/c1-18-23-16-19(17-29-26(23)36(33-18)28-31-24-4-2-3-5-25(24)32-28)27(37)30-20-6-8-21(9-7-20)34-12-14-35(15-13-34)22-10-11-22/h2-9,16-17,22H,10-15H2,1H3,(H,30,37)(H,31,32).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide?
1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 492.59 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-methylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166190915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).