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

C26H22F3N3O4S — CID 25226550

IUPACN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F
InChIInChI=1S/C26H22F3N3O4S/c1-2-14-11-19-22(12-21(14)29)32(13-15-10-16(27)5-8-20(15)28)24(23(19)18-4-3-9-30-25(18)33)26(34)31-37(35,36)17-6-7-17/h3-5,8-12,17H,2,6-7,13H2,1H3,(H,30,33)(H,31,34)
InChIKeySIGKXUQRJTXSGJ-UHFFFAOYSA-N
MW529.54 g/mol
LogP4.25
Rot. Bonds7

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

N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25226550) has the molecular formula C26H22F3N3O4S and a molecular weight of 529.54 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25226550
Molecular FormulaC26H22F3N3O4S
Molecular Weight529.54 g/mol
Exact Mass529.13
IUPAC NameN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F
InChIInChI=1S/C26H22F3N3O4S/c1-2-14-11-19-22(12-21(14)29)32(13-15-10-16(27)5-8-20(15)28)24(23(19)18-4-3-9-30-25(18)33)26(34)31-37(35,36)17-6-7-17/h3-5,8-12,17H,2,6-7,13H2,1H3,(H,30,33)(H,31,34)
InChIKeySIGKXUQRJTXSGJ-UHFFFAOYSA-N
XLogP4.25
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25226550) is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F.
What is the InChIKey of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is SIGKXUQRJTXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4S/c1-2-14-11-19-22(12-21(14)29)32(13-15-10-16(27)5-8-20(15)28)24(23(19)18-4-3-9-30-25(18)33)26(34)31-37(35,36)17-6-7-17/h3-5,8-12,17H,2,6-7,13H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 529.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-ethyl-6-fluoro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25226550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).