N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C27H20N8O — CID 137057368

IUPACN-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1)C1CC1
InChIInChI=1S/C27H20N8O/c36-27(16-4-5-16)31-18-10-17(12-29-13-18)22-11-20-23(14-30-22)34-35-25(20)26-32-21-3-1-2-19(24(21)33-26)15-6-8-28-9-7-15/h1-3,6-14,16H,4-5H2,(H,31,36)(H,32,33)(H,34,35)
InChIKeyOUWKKAPMFRHMER-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.97
Rot. Bonds5

About N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137057368) has the molecular formula C27H20N8O and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID137057368
Molecular FormulaC27H20N8O
Molecular Weight472.51 g/mol
Exact Mass472.18
IUPAC NameN-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1)C1CC1
InChIInChI=1S/C27H20N8O/c36-27(16-4-5-16)31-18-10-17(12-29-13-18)22-11-20-23(14-30-22)34-35-25(20)26-32-21-3-1-2-19(24(21)33-26)15-6-8-28-9-7-15/h1-3,6-14,16H,4-5H2,(H,31,36)(H,32,33)(H,34,35)
InChIKeyOUWKKAPMFRHMER-UHFFFAOYSA-N
XLogP4.97
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137055108
2-cyclohexyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136942964
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136943303
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137113176
N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136946483
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136943622
N-[5-[3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136946111
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137113777
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136946401
N-(1-cyclopentylethenyl)-5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033177
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136942452
N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137055492

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137057368) is N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1)C1CC1.
What is the InChIKey of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is OUWKKAPMFRHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N8O/c36-27(16-4-5-16)31-18-10-17(12-29-13-18)22-11-20-23(14-30-22)34-35-25(20)26-32-21-3-1-2-19(24(21)33-26)15-6-8-28-9-7-15/h1-3,6-14,16H,4-5H2,(H,31,36)(H,32,33)(H,34,35).
What are the key properties of N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137057368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).