1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C24H26F4N4O3S — CID 66731276

IUPAC1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1
InChIInChI=1S/C24H26F4N4O3S/c1-3-14-10-20-17(11-18(14)25)21(23(29)33)22(32(20)15-6-4-5-7-15)19-9-8-16(12-30-19)36(34,35)31-13(2)24(26,27)28/h8-13,15,31H,3-7H2,1-2H3,(H2,29,33)/t13-/m0/s1
InChIKeyNXPPVKRHIXJVTN-ZDUSSCGKSA-N
MW526.56 g/mol
LogP4.85
Rot. Bonds7

About 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 66731276) has the molecular formula C24H26F4N4O3S and a molecular weight of 526.56 g/mol. Its IUPAC name is 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
PubChem CID66731276
Molecular FormulaC24H26F4N4O3S
Molecular Weight526.56 g/mol
Exact Mass526.17
IUPAC Name1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1
InChIInChI=1S/C24H26F4N4O3S/c1-3-14-10-20-17(11-18(14)25)21(23(29)33)22(32(20)15-6-4-5-7-15)19-9-8-16(12-30-19)36(34,35)31-13(2)24(26,27)28/h8-13,15,31H,3-7H2,1-2H3,(H2,29,33)/t13-/m0/s1
InChIKeyNXPPVKRHIXJVTN-ZDUSSCGKSA-N
XLogP4.85
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 66731276) is 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The InChIKey is NXPPVKRHIXJVTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H26F4N4O3S/c1-3-14-10-20-17(11-18(14)25)21(23(29)33)22(32(20)15-6-4-5-7-15)19-9-8-16(12-30-19)36(34,35)31-13(2)24(26,27)28/h8-13,15,31H,3-7H2,1-2H3,(H2,29,33)/t13-/m0/s1.
What are the key properties of 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 526.56 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 66731276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).