5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide

C22H17ClN6O — CID 59023794

IUPAC5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)NCc4cccc(Cl)c4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C22H17ClN6O/c23-15-3-1-2-12(4-15)8-27-22(30)17-6-13(5-14-9-28-29-21(14)17)18-10-25-19-11-26-20(24)7-16(18)19/h1-7,9-11,25H,8H2,(H2,24,26)(H,27,30)(H,28,29)
InChIKeyBPHARWRKNZYKDA-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.27
Rot. Bonds4

About 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide

5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide (PubChem CID 59023794) has the molecular formula C22H17ClN6O and a molecular weight of 416.87 g/mol. Its IUPAC name is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide
PubChem CID59023794
Molecular FormulaC22H17ClN6O
Molecular Weight416.87 g/mol
Exact Mass416.12
IUPAC Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)NCc4cccc(Cl)c4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C22H17ClN6O/c23-15-3-1-2-12(4-15)8-27-22(30)17-6-13(5-14-9-28-29-21(14)17)18-10-25-19-11-26-20(24)7-16(18)19/h1-7,9-11,25H,8H2,(H2,24,26)(H,27,30)(H,28,29)
InChIKeyBPHARWRKNZYKDA-UHFFFAOYSA-N
XLogP4.27
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazole-7-carboxylic acid
CID 59023793
4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
CID 59292119
5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 71164382
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-(3-amino-1H-indazol-6-yl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 69233196
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-[(3-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091822
N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135449325
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide?
The IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide (CID 59023794) is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide is Nc1cc2c(-c3cc(C(=O)NCc4cccc(Cl)c4)c4[nH]ncc4c3)c[nH]c2cn1.
What is the InChIKey of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide?
The InChIKey is BPHARWRKNZYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O/c23-15-3-1-2-12(4-15)8-27-22(30)17-6-13(5-14-9-28-29-21(14)17)18-10-25-19-11-26-20(24)7-16(18)19/h1-7,9-11,25H,8H2,(H2,24,26)(H,27,30)(H,28,29).
What are the key properties of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide?
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 4.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 59023794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).