N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide

C29H19N7O — CID 135453513

IUPACN-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc12)c1cccnc1
InChIInChI=1S/C29H19N7O/c37-29(18-5-4-12-30-14-18)34-23-9-3-6-19-21(15-31-16-22(19)23)17-10-11-24-20(13-17)27(36-35-24)28-32-25-7-1-2-8-26(25)33-28/h1-16H,(H,32,33)(H,34,37)(H,35,36)
InChIKeyMJOXODAJKGZXPL-UHFFFAOYSA-N
MW481.52 g/mol
LogP5.97
Rot. Bonds4

About N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide

N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide (PubChem CID 135453513) has the molecular formula C29H19N7O and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide
PubChem CID135453513
Molecular FormulaC29H19N7O
Molecular Weight481.52 g/mol
Exact Mass481.17
IUPAC NameN-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc12)c1cccnc1
InChIInChI=1S/C29H19N7O/c37-29(18-5-4-12-30-14-18)34-23-9-3-6-19-21(15-31-16-22(19)23)17-10-11-24-20(13-17)27(36-35-24)28-32-25-7-1-2-8-26(25)33-28/h1-16H,(H,32,33)(H,34,37)(H,35,36)
InChIKeyMJOXODAJKGZXPL-UHFFFAOYSA-N
XLogP5.97
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
CID 135453498
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136509566
N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine
CID 135433078
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzohydrazide
CID 136995236
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 135987310
3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole
CID 135486180
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643030
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
3-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 135987322

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide (CID 135453513) is N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide is O=C(Nc1cccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc12)c1cccnc1.
What is the InChIKey of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?
The InChIKey is MJOXODAJKGZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N7O/c37-29(18-5-4-12-30-14-18)34-23-9-3-6-19-21(15-31-16-22(19)23)17-10-11-24-20(13-17)27(36-35-24)28-32-25-7-1-2-8-26(25)33-28/h1-16H,(H,32,33)(H,34,37)(H,35,36).
What are the key properties of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?
N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 5.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135453513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).