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

C91H86ClF9N12O7 — CID 159852247

About 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

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 (PubChem CID 159852247) has the molecular formula C91H86ClF9N12O7 and a molecular weight of 1666.20 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159852247
• Molecular Formula: C91H86ClF9N12O7
• Molecular Weight: 1666.20 g/mol
• Exact Mass: 1664.63
• IUPAC Name: 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
• SMILES: CC(=O)N1CCC(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1.CC(NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1cnn(C)c1.COc1ccc2cc(C(=O)C[C@H](C)c3ccccc3)[nH]c2c1.C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(C(F)(F)F)ccc2[nH]1
• InChI: InChI=1S/C19H22ClN3O2.C19H15F3N2O.C19H19NO2.C18H15F3N2O.C16H15F3N4O/c1-12(24)23-8-4-14(5-9-23)19(6-7-19)22-18(25)17-11-13-10-15(20)2-3-16(13)21-17;20-19(21,22)14-6-7-15-12(10-14)11-16(23-15)17(25)24-18(8-9-18)13-4-2-1-3-5-13;1-13(14-6-4-3-5-7-14)10-19(21)18-11-15-8-9-16(22-2)12-17(15)20-18;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16;1-9(11-7-20-23(2)8-11)21-15(24)14-6-10-5-12(16(17,18)19)3-4-13(10)22-14/h2-3,10-11,14,21H,4-9H2,1H3,(H,22,25);1-7,10-11,23H,8-9H2,(H,24,25);3-9,11-13,20H,10H2,1-2H3;2-11,23H,1H3,(H,22,24);3-9,22H,1-2H3,(H,21,24)/t;;13-;11-;/m..01./s1
• InChIKey: NQBWNTYJJOXVBX-HERWXTMBSA-N
• XLogP: 20.59
• TPSA: 259.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1666.20
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)N1CCC(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1.CC(NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1cnn(C)c1.COc1ccc2cc(C(=O)C[C@H](C)c3ccccc3)[nH]c2c1.C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(C(F)(F)F)ccc2[nH]1.

What is the InChIKey of 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?

The InChIKey is NQBWNTYJJOXVBX-HERWXTMBSA-N. The full InChI is InChI=1S/C19H22ClN3O2.C19H15F3N2O.C19H19NO2.C18H15F3N2O.C16H15F3N4O/c1-12(24)23-8-4-14(5-9-23)19(6-7-19)22-18(25)17-11-13-10-15(20)2-3-16(13)21-17;20-19(21,22)14-6-7-15-12(10-14)11-16(23-15)17(25)24-18(8-9-18)13-4-2-1-3-5-13;1-13(14-6-4-3-5-7-14)10-19(21)18-11-15-8-9-16(22-2)12-17(15)20-18;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16;1-9(11-7-20-23(2)8-11)21-15(24)14-6-10-5-12(16(17,18)19)3-4-13(10)22-14/h2-3,10-11,14,21H,4-9H2,1H3,(H,22,25);1-7,10-11,23H,8-9H2,(H,24,25);3-9,11-13,20H,10H2,1-2H3;2-11,23H,1H3,(H,22,24);3-9,22H,1-2H3,(H,21,24)/t;;13-;11-;/m..01./s1.

What are the key properties of 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?

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 has a molecular weight of 1666.20 g/mol, XLogP of 20.59, 17 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159852247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).