6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C48H42F10N10O6S2 — CID 87157282

IUPAC6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)nc1)C(F)(F)F.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2-c1ncccn1
InChIInChI=1S/C24H24F6N4O4S.C24H18F4N6O2S/c1-23(2,24(28,29)30)33-39(36,37)13-7-8-16(32-11-13)20-19(21(31)35)14-9-15(25)18(38-22(26)27)10-17(14)34(20)12-5-3-4-6-12;1-2-14-10-20-16(11-18(14)25)17(12-29)21(34(20)22-30-8-3-9-31-22)19-5-4-15(13-32-19)37(35,36)33-23(6-7-23)24(26,27)28/h7-12,22,33H,3-6H2,1-2H3,(H2,31,35);3-5,8-11,13,33H,2,6-7H2,1H3
InChIKeyORFXYUGNKRZVLE-UHFFFAOYSA-N
MW1109.04 g/mol
LogP9.71
Rot. Bonds14

About 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide

6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 87157282) has the molecular formula C48H42F10N10O6S2 and a molecular weight of 1109.04 g/mol. Its IUPAC name is 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide
PubChem CID87157282
Molecular FormulaC48H42F10N10O6S2
Molecular Weight1109.04 g/mol
Exact Mass1108.26
IUPAC Name6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)nc1)C(F)(F)F.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2-c1ncccn1
InChIInChI=1S/C24H24F6N4O4S.C24H18F4N6O2S/c1-23(2,24(28,29)30)33-39(36,37)13-7-8-16(32-11-13)20-19(21(31)35)14-9-15(25)18(38-22(26)27)10-17(14)34(20)12-5-3-4-6-12;1-2-14-10-20-16(11-18(14)25)17(12-29)21(34(20)22-30-8-3-9-31-22)19-5-4-15(13-32-19)37(35,36)33-23(6-7-23)24(26,27)28/h7-12,22,33H,3-6H2,1-2H3,(H2,31,35);3-5,8-11,13,33H,2,6-7H2,1H3
InChIKeyORFXYUGNKRZVLE-UHFFFAOYSA-N
XLogP9.71
TPSA229.87 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.04
LogP ≤ 59.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 87157282) is 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide is CC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)nc1)C(F)(F)F.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2-c1ncccn1.
What is the InChIKey of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The InChIKey is ORFXYUGNKRZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N4O4S.C24H18F4N6O2S/c1-23(2,24(28,29)30)33-39(36,37)13-7-8-16(32-11-13)20-19(21(31)35)14-9-15(25)18(38-22(26)27)10-17(14)34(20)12-5-3-4-6-12;1-2-14-10-20-16(11-18(14)25)17(12-29)21(34(20)22-30-8-3-9-31-22)19-5-4-15(13-32-19)37(35,36)33-23(6-7-23)24(26,27)28/h7-12,22,33H,3-6H2,1-2H3,(H2,31,35);3-5,8-11,13,33H,2,6-7H2,1H3.
What are the key properties of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 1109.04 g/mol, XLogP of 9.71, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;1-cyclopentyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 87157282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).