5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

C90H83ClF3N13O9S — CID 158286896

IUPAC5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC(C)c3cnn(C)c3)cc2c1.CS(=O)(=O)Nc1ccc2cc(C(=O)NC3(c4ccccc4)CC3)[nH]c2c1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)cc(F)c2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(O)ccc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2ccc(C(F)F)cc2[nH]1
InChIInChI=1S/C19H16F2N2O.C19H19N3O3S.C18H14ClFN2O.C18H16N2O2.C16H18N4O2/c20-17(21)13-7-6-12-10-16(22-15(12)11-13)18(24)23-19(8-9-19)14-4-2-1-3-5-14;1-26(24,25)22-15-8-7-13-11-17(20-16(13)12-15)18(23)21-19(9-10-19)14-5-3-2-4-6-14;19-13-8-11-9-15(21-16(11)14(20)10-13)17(23)22-18(6-7-18)12-4-2-1-3-5-12;21-14-6-7-15-12(10-14)11-16(19-15)17(22)20-18(8-9-18)13-4-2-1-3-5-13;1-10(12-8-17-20(2)9-12)18-16(21)15-7-11-6-13(22-3)4-5-14(11)19-15/h1-7,10-11,17,22H,8-9H2,(H,23,24);2-8,11-12,20,22H,9-10H2,1H3,(H,21,23);1-5,8-10,21H,6-7H2,(H,22,23);1-7,10-11,19,21H,8-9H2,(H,20,22);4-10,19H,1-3H3,(H,18,21)
InChIKeyGKWSCGANFHNZKW-UHFFFAOYSA-N
MW1615.25 g/mol
LogP17.56
Rot. Bonds19

About 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 158286896) has the molecular formula C90H83ClF3N13O9S and a molecular weight of 1615.25 g/mol. Its IUPAC name is 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID158286896
Molecular FormulaC90H83ClF3N13O9S
Molecular Weight1615.25 g/mol
Exact Mass1613.58
IUPAC Name5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC(C)c3cnn(C)c3)cc2c1.CS(=O)(=O)Nc1ccc2cc(C(=O)NC3(c4ccccc4)CC3)[nH]c2c1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)cc(F)c2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(O)ccc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2ccc(C(F)F)cc2[nH]1
InChIInChI=1S/C19H16F2N2O.C19H19N3O3S.C18H14ClFN2O.C18H16N2O2.C16H18N4O2/c20-17(21)13-7-6-12-10-16(22-15(12)11-13)18(24)23-19(8-9-19)14-4-2-1-3-5-14;1-26(24,25)22-15-8-7-13-11-17(20-16(13)12-15)18(23)21-19(9-10-19)14-5-3-2-4-6-14;19-13-8-11-9-15(21-16(11)14(20)10-13)17(23)22-18(6-7-18)12-4-2-1-3-5-12;21-14-6-7-15-12(10-14)11-16(19-15)17(22)20-18(8-9-18)13-4-2-1-3-5-13;1-10(12-8-17-20(2)9-12)18-16(21)15-7-11-6-13(22-3)4-5-14(11)19-15/h1-7,10-11,17,22H,8-9H2,(H,23,24);2-8,11-12,20,22H,9-10H2,1H3,(H,21,23);1-5,8-10,21H,6-7H2,(H,22,23);1-7,10-11,19,21H,8-9H2,(H,20,22);4-10,19H,1-3H3,(H,18,21)
InChIKeyGKWSCGANFHNZKW-UHFFFAOYSA-N
XLogP17.56
TPSA317.90 Ų
H-Bond Donors12
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001615.25
LogP ≤ 517.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1011

Analyze 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 157609776
5-chloro-N-[1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-prop-1-en-2-ylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-pyridin-2-ylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 158287762
5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159524571
5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159636513
N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 159852247
5-chloro-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethyl-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159974727
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1-methylpyrazol-4-yl)propan-2-yl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 160315790
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 161042123
5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[methyl(methylsulfonyl)amino]propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylazetidin-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-3-ylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161130009
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 161187711
5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 161498215
5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 161602024

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (CID 158286896) is 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC(C)c3cnn(C)c3)cc2c1.CS(=O)(=O)Nc1ccc2cc(C(=O)NC3(c4ccccc4)CC3)[nH]c2c1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)cc(F)c2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(O)ccc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2ccc(C(F)F)cc2[nH]1.
What is the InChIKey of 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is GKWSCGANFHNZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O.C19H19N3O3S.C18H14ClFN2O.C18H16N2O2.C16H18N4O2/c20-17(21)13-7-6-12-10-16(22-15(12)11-13)18(24)23-19(8-9-19)14-4-2-1-3-5-14;1-26(24,25)22-15-8-7-13-11-17(20-16(13)12-15)18(23)21-19(9-10-19)14-5-3-2-4-6-14;19-13-8-11-9-15(21-16(11)14(20)10-13)17(23)22-18(6-7-18)12-4-2-1-3-5-12;21-14-6-7-15-12(10-14)11-16(19-15)17(22)20-18(8-9-18)13-4-2-1-3-5-13;1-10(12-8-17-20(2)9-12)18-16(21)15-7-11-6-13(22-3)4-5-14(11)19-15/h1-7,10-11,17,22H,8-9H2,(H,23,24);2-8,11-12,20,22H,9-10H2,1H3,(H,21,23);1-5,8-10,21H,6-7H2,(H,22,23);1-7,10-11,19,21H,8-9H2,(H,20,22);4-10,19H,1-3H3,(H,18,21).
What are the key properties of 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 1615.25 g/mol, XLogP of 17.56, 19 rotatable bonds, 12 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158286896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).