N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane

C89H102Cl4N18O6 — CID 158075732

About N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane

N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane (PubChem CID 158075732) has the molecular formula C89H102Cl4N18O6 and a molecular weight of 1661.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane
• PubChem CID: 158075732
• Molecular Formula: C89H102Cl4N18O6
• Molecular Weight: 1661.73 g/mol
• Exact Mass: 1658.70
• IUPAC Name: N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane
• SMILES: C.CCOC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCNC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1)N1CCOCC1.O=C(N1CCCCCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C25H29ClN4O.C22H24ClN5O2.C21H24ClN5O.C20H21ClN4O2.CH4/c26-20-5-7-21(8-6-20)30-18-23(22-9-12-27-17-24(22)30)19-10-15-29(16-11-19)25(31)28-13-3-1-2-4-14-28;23-17-1-3-18(4-2-17)28-20-15-24-8-5-19(20)21(25-28)26-9-6-16(7-10-26)22(29)27-11-13-30-14-12-27;22-16-1-3-17(4-2-16)27-14-19(18-5-9-24-13-20(18)27)15-6-11-26(12-7-15)21(28)25-10-8-23;1-2-27-20(26)14-8-11-24(12-9-14)19-17-7-10-22-13-18(17)25(23-19)16-5-3-15(21)4-6-16;/h5-9,12,17-19H,1-4,10-11,13-16H2;1-5,8,15-16H,6-7,9-14H2;1-5,9,13-15H,6-8,10-12,23H2,(H,25,28);3-7,10,13-14H,2,8-9,11-12H2,1H3;1H4
• InChIKey: FMIRKPUMYXXSLR-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 241.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.73
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane?

The IUPAC name of N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane (CID 158075732) is N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane.

What is the SMILES notation for N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane?

The canonical SMILES for N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane is C.CCOC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCNC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1)N1CCOCC1.O=C(N1CCCCCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane?

The InChIKey is FMIRKPUMYXXSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O.C22H24ClN5O2.C21H24ClN5O.C20H21ClN4O2.CH4/c26-20-5-7-21(8-6-20)30-18-23(22-9-12-27-17-24(22)30)19-10-15-29(16-11-19)25(31)28-13-3-1-2-4-14-28;23-17-1-3-18(4-2-17)28-20-15-24-8-5-19(20)21(25-28)26-9-6-16(7-10-26)22(29)27-11-13-30-14-12-27;22-16-1-3-17(4-2-16)27-14-19(18-5-9-24-13-20(18)27)15-6-11-26(12-7-15)21(28)25-10-8-23;1-2-27-20(26)14-8-11-24(12-9-14)19-17-7-10-22-13-18(17)25(23-19)16-5-3-15(21)4-6-16;/h5-9,12,17-19H,1-4,10-11,13-16H2;1-5,8,15-16H,6-7,9-14H2;1-5,9,13-15H,6-8,10-12,23H2,(H,25,28);3-7,10,13-14H,2,8-9,11-12H2,1H3;1H4.

What are the key properties of N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane?

N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane has a molecular weight of 1661.73 g/mol, XLogP of 17.02, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;azepan-1-yl-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]methanone;[1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone;ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate;methane is sourced from PubChem (CID 158075732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).