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

C21H15ClN6O — CID 59023861

IUPAC5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)Nc4cccc(Cl)c4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C21H15ClN6O/c22-13-2-1-3-14(6-13)27-21(29)16-5-11(4-12-8-26-28-20(12)16)17-9-24-18-10-25-19(23)7-15(17)18/h1-10,24H,(H2,23,25)(H,26,28)(H,27,29)
InChIKeyHKFPNUCZDMZNOM-UHFFFAOYSA-N
MW402.85 g/mol
LogP4.59
Rot. Bonds3

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

5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide (PubChem CID 59023861) has the molecular formula C21H15ClN6O and a molecular weight of 402.85 g/mol. Its IUPAC name is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide
PubChem CID59023861
Molecular FormulaC21H15ClN6O
Molecular Weight402.85 g/mol
Exact Mass402.10
IUPAC Name5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide
SMILESNc1cc2c(-c3cc(C(=O)Nc4cccc(Cl)c4)c4[nH]ncc4c3)c[nH]c2cn1
InChIInChI=1S/C21H15ClN6O/c22-13-2-1-3-14(6-13)27-21(29)16-5-11(4-12-8-26-28-20(12)16)17-9-24-18-10-25-19(23)7-15(17)18/h1-10,24H,(H2,23,25)(H,26,28)(H,27,29)
InChIKeyHKFPNUCZDMZNOM-UHFFFAOYSA-N
XLogP4.59
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 54.59
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)-N-[(3-chlorophenyl)methyl]-1H-indazole-7-carboxamide
CID 59023794
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]-1H-indazole-7-carboxamide
CID 59023954
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazole-7-carboxylic acid
CID 59023793
5-[(2-amino-4-pyridinyl)amino]-N-phenyl-1H-indazole-7-carboxamide
CID 59023830
N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
CID 59023819
N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 145215535
2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
CID 61117079

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide?
The IUPAC name of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide (CID 59023861) is 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide?
The canonical SMILES for 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide is Nc1cc2c(-c3cc(C(=O)Nc4cccc(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)-1H-indazole-7-carboxamide?
The InChIKey is HKFPNUCZDMZNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6O/c22-13-2-1-3-14(6-13)27-21(29)16-5-11(4-12-8-26-28-20(12)16)17-9-24-18-10-25-19(23)7-15(17)18/h1-10,24H,(H2,23,25)(H,26,28)(H,27,29).
What are the key properties of 5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide?
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(3-chlorophenyl)-1H-indazole-7-carboxamide has a molecular weight of 402.85 g/mol, XLogP of 4.59, 3 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)-1H-indazole-7-carboxamide is sourced from PubChem (CID 59023861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).