1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C24H19ClFN5O4S — CID 67710946

IUPAC1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc4cn[nH]c4cc3Cl)c2cc1F
InChIInChI=1S/C24H19ClFN5O4S/c1-12-6-16-20(9-18(12)26)31(11-14-7-13-10-28-29-19(13)8-17(14)25)22(24(33)30-36(2,34)35)21(16)15-4-3-5-27-23(15)32/h3-10H,11H2,1-2H3,(H,27,32)(H,28,29)(H,30,33)
InChIKeyUSHLHHHQSCRQDO-UHFFFAOYSA-N
MW527.97 g/mol
LogP3.71
Rot. Bonds5

About 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 67710946) has the molecular formula C24H19ClFN5O4S and a molecular weight of 527.97 g/mol. Its IUPAC name is 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID67710946
Molecular FormulaC24H19ClFN5O4S
Molecular Weight527.97 g/mol
Exact Mass527.08
IUPAC Name1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc4cn[nH]c4cc3Cl)c2cc1F
InChIInChI=1S/C24H19ClFN5O4S/c1-12-6-16-20(9-18(12)26)31(11-14-7-13-10-28-29-19(13)8-17(14)25)22(24(33)30-36(2,34)35)21(16)15-4-3-5-27-23(15)32/h3-10H,11H2,1-2H3,(H,27,32)(H,28,29)(H,30,33)
InChIKeyUSHLHHHQSCRQDO-UHFFFAOYSA-N
XLogP3.71
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.97
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 67710946) is 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc4cn[nH]c4cc3Cl)c2cc1F.
What is the InChIKey of 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is USHLHHHQSCRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O4S/c1-12-6-16-20(9-18(12)26)31(11-14-7-13-10-28-29-19(13)8-17(14)25)22(24(33)30-36(2,34)35)21(16)15-4-3-5-27-23(15)32/h3-10H,11H2,1-2H3,(H,27,32)(H,28,29)(H,30,33).
What are the key properties of 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 527.97 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-1H-indazol-5-yl)methyl]-6-fluoro-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 67710946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).