N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide

C24H15N5O — CID 69074888

IUPACN-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc5ccccc45)cc23)c1
InChIInChI=1S/C24H15N5O/c25-12-15-4-3-6-18(10-15)27-24(30)23-20-11-16(8-9-22(20)28-29-23)21-14-26-13-17-5-1-2-7-19(17)21/h1-11,13-14H,(H,27,30)(H,28,29)
InChIKeyMYWGXEOLYBLPOL-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.90
Rot. Bonds3

About N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide

N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide (PubChem CID 69074888) has the molecular formula C24H15N5O and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
PubChem CID69074888
Molecular FormulaC24H15N5O
Molecular Weight389.42 g/mol
Exact Mass389.13
IUPAC NameN-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc5ccccc45)cc23)c1
InChIInChI=1S/C24H15N5O/c25-12-15-4-3-6-18(10-15)27-24(30)23-20-11-16(8-9-22(20)28-29-23)21-14-26-13-17-5-1-2-7-19(17)21/h1-11,13-14H,(H,27,30)(H,28,29)
InChIKeyMYWGXEOLYBLPOL-UHFFFAOYSA-N
XLogP4.90
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 60905939
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide
CID 118382349
N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide
CID 141273596
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458806
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
CID 89459064
5-(2-fluoro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501595
5-(2,3-difluorophenyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 118382000
5-(3-fluoro-2-methylphenyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123828184
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
5-amino-N-(3-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 61165913

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide (CID 69074888) is N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide is N#Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc5ccccc45)cc23)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
The InChIKey is MYWGXEOLYBLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O/c25-12-15-4-3-6-18(10-15)27-24(30)23-20-11-16(8-9-22(20)28-29-23)21-14-26-13-17-5-1-2-7-19(17)21/h1-11,13-14H,(H,27,30)(H,28,29).
What are the key properties of N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide?
N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 69074888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).