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

C25H23FN4O4S — CID 25225828

IUPACN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccnc1F
InChIInChI=1S/C25H23FN4O4S/c1-2-15-7-10-20-19(13-15)21(18-6-4-12-28-24(18)31)22(25(32)29-35(33,34)17-8-9-17)30(20)14-16-5-3-11-27-23(16)26/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyWSYLBXWINAODKL-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.36
Rot. Bonds7

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

N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25225828) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25225828
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC NameN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccnc1F
InChIInChI=1S/C25H23FN4O4S/c1-2-15-7-10-20-19(13-15)21(18-6-4-12-28-24(18)31)22(25(32)29-35(33,34)17-8-9-17)30(20)14-16-5-3-11-27-23(16)26/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyWSYLBXWINAODKL-UHFFFAOYSA-N
XLogP3.36
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25225828) is N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccnc1F.
What is the InChIKey of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is WSYLBXWINAODKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-2-15-7-10-20-19(13-15)21(18-6-4-12-28-24(18)31)22(25(32)29-35(33,34)17-8-9-17)30(20)14-16-5-3-11-27-23(16)26/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-pyridinyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25225828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).