5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone

C128H116Cl2F6N16O13 — CID 157319466

About 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone

5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone (PubChem CID 157319466) has the molecular formula C128H116Cl2F6N16O13 and a molecular weight of 2271.33 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone.

Molecular Properties

• Compound Name: 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone
• PubChem CID: 157319466
• Molecular Formula: C128H116Cl2F6N16O13
• Molecular Weight: 2271.33 g/mol
• Exact Mass: 2268.82
• IUPAC Name: 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone
• SMILES: COc1ccc2[nH]c(C(=O)NC3(c4ccn(C)c4)CC3)cc2c1.COc1ccc2c(c1)CC(C(=O)NC1(c3ccccc3)COC1)=C2.Cn1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)cnc4[nH]3)CC2)c1.O=C(CC1(c2ccccc2)COC1)c1cc2cc(C(F)(F)F)ccc2[nH]1.O=C(CC1(c2ccccc2)COC1)c1cc2cc(Cl)cnc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2ccc(O)cc2[nH]1
• InChI: InChI=1S/C20H16F3NO2.C20H19NO3.C18H15ClN2O2.C18H16F3N3O.C18H19N3O2.C18H16N2O2.C16H15ClN4O/c21-20(22,23)15-6-7-16-13(8-15)9-17(24-16)18(25)10-19(11-26-12-19)14-4-2-1-3-5-14;1-23-18-8-7-14-9-16(10-15(14)11-18)19(22)21-20(12-24-13-20)17-5-3-2-4-6-17;19-14-6-12-7-15(21-17(12)20-9-14)16(22)8-18(10-23-11-18)13-4-2-1-3-5-13;1-24-7-4-13(10-24)17(5-6-17)23-16(25)15-9-11-8-12(18(19,20)21)2-3-14(11)22-15;1-21-8-5-13(11-21)18(6-7-18)20-17(22)16-10-12-9-14(23-2)3-4-15(12)19-16;21-14-7-6-12-10-16(19-15(12)11-14)17(22)20-18(8-9-18)13-4-2-1-3-5-13;1-21-5-2-11(9-21)16(3-4-16)20-15(22)13-7-10-6-12(17)8-18-14(10)19-13/h1-9,24H,10-12H2;2-9,11H,10,12-13H2,1H3,(H,21,22);1-7,9H,8,10-11H2,(H,20,21);2-4,7-10,22H,5-6H2,1H3,(H,23,25);3-5,8-11,19H,6-7H2,1-2H3,(H,20,22);1-7,10-11,19,21H,8-9H2,(H,20,22);2,5-9H,3-4H2,1H3,(H,18,19)(H,20,22)
• InChIKey: BDZKLGPOTCUDRB-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 381.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.33
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone?

The IUPAC name of 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone (CID 157319466) is 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone.

What is the SMILES notation for 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone?

The canonical SMILES for 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone is COc1ccc2[nH]c(C(=O)NC3(c4ccn(C)c4)CC3)cc2c1.COc1ccc2c(c1)CC(C(=O)NC1(c3ccccc3)COC1)=C2.Cn1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)cnc4[nH]3)CC2)c1.O=C(CC1(c2ccccc2)COC1)c1cc2cc(C(F)(F)F)ccc2[nH]1.O=C(CC1(c2ccccc2)COC1)c1cc2cc(Cl)cnc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2ccc(O)cc2[nH]1.

What is the InChIKey of 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone?

The InChIKey is BDZKLGPOTCUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2.C20H19NO3.C18H15ClN2O2.C18H16F3N3O.C18H19N3O2.C18H16N2O2.C16H15ClN4O/c21-20(22,23)15-6-7-16-13(8-15)9-17(24-16)18(25)10-19(11-26-12-19)14-4-2-1-3-5-14;1-23-18-8-7-14-9-16(10-15(14)11-18)19(22)21-20(12-24-13-20)17-5-3-2-4-6-17;19-14-6-12-7-15(21-17(12)20-9-14)16(22)8-18(10-23-11-18)13-4-2-1-3-5-13;1-24-7-4-13(10-24)17(5-6-17)23-16(25)15-9-11-8-12(18(19,20)21)2-3-14(11)22-15;1-21-8-5-13(11-21)18(6-7-18)20-17(22)16-10-12-9-14(23-2)3-4-15(12)19-16;21-14-7-6-12-10-16(19-15(12)11-14)17(22)20-18(8-9-18)13-4-2-1-3-5-13;1-21-5-2-11(9-21)16(3-4-16)20-15(22)13-7-10-6-12(17)8-18-14(10)19-13/h1-9,24H,10-12H2;2-9,11H,10,12-13H2,1H3,(H,21,22);1-7,9H,8,10-11H2,(H,20,21);2-4,7-10,22H,5-6H2,1H3,(H,23,25);3-5,8-11,19H,6-7H2,1-2H3,(H,20,22);1-7,10-11,19,21H,8-9H2,(H,20,22);2,5-9H,3-4H2,1H3,(H,18,19)(H,20,22).

What are the key properties of 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone?

5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone has a molecular weight of 2271.33 g/mol, XLogP of 24.31, 25 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone is sourced from PubChem (CID 157319466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).