6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide

C27H22ClN5O2 — CID 162668259

IUPAC6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide
SMILESCc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O
InChIInChI=1S/C27H22ClN5O2/c1-17-3-2-14-33(27(17)35)20-5-7-21(23(28)16-20)19-4-6-22-24(15-19)31-32-25(22)26(34)30-13-10-18-8-11-29-12-9-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,30,34)(H,31,32)
InChIKeyIIZXIMJEBMKPJY-UHFFFAOYSA-N
MW483.96 g/mol
LogP4.71
Rot. Bonds6

About 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide

6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide (PubChem CID 162668259) has the molecular formula C27H22ClN5O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide
PubChem CID162668259
Molecular FormulaC27H22ClN5O2
Molecular Weight483.96 g/mol
Exact Mass483.15
IUPAC Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide
SMILESCc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O
InChIInChI=1S/C27H22ClN5O2/c1-17-3-2-14-33(27(17)35)20-5-7-21(23(28)16-20)19-4-6-22-24(15-19)31-32-25(22)26(34)30-13-10-18-8-11-29-12-9-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,30,34)(H,31,32)
InChIKeyIIZXIMJEBMKPJY-UHFFFAOYSA-N
XLogP4.71
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide (CID 162668259) is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide is Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O.
What is the InChIKey of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide?
The InChIKey is IIZXIMJEBMKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O2/c1-17-3-2-14-33(27(17)35)20-5-7-21(23(28)16-20)19-4-6-22-24(15-19)31-32-25(22)26(34)30-13-10-18-8-11-29-12-9-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide?
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-pyridin-4-ylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 162668259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).