N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C26H23F2N3O4S — CID 58132621

IUPACN-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccc(F)cc1F
InChIInChI=1S/C26H23F2N3O4S/c1-14-3-10-22-20(11-14)23(19-9-4-15(2)29-25(19)32)24(26(33)30-36(34,35)18-7-8-18)31(22)13-16-5-6-17(27)12-21(16)28/h3-6,9-12,18H,7-8,13H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyUOFOENWAYAPMJQ-UHFFFAOYSA-N
MW511.55 g/mol
LogP4.16
Rot. Bonds6

About N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132621) has the molecular formula C26H23F2N3O4S and a molecular weight of 511.55 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132621
Molecular FormulaC26H23F2N3O4S
Molecular Weight511.55 g/mol
Exact Mass511.14
IUPAC NameN-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccc(F)cc1F
InChIInChI=1S/C26H23F2N3O4S/c1-14-3-10-22-20(11-14)23(19-9-4-15(2)29-25(19)32)24(26(33)30-36(34,35)18-7-8-18)31(22)13-16-5-6-17(27)12-21(16)28/h3-6,9-12,18H,7-8,13H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyUOFOENWAYAPMJQ-UHFFFAOYSA-N
XLogP4.16
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132621) is N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccc(F)cc1F.
What is the InChIKey of N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is UOFOENWAYAPMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O4S/c1-14-3-10-22-20(11-14)23(19-9-4-15(2)29-25(19)32)24(26(33)30-36(34,35)18-7-8-18)31(22)13-16-5-6-17(27)12-21(16)28/h3-6,9-12,18H,7-8,13H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-[(2,4-difluorophenyl)methyl]-5-methyl-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).