1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one

C108H133Cl4N17O5 — CID 159829944

About 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one (PubChem CID 159829944) has the molecular formula C108H133Cl4N17O5 and a molecular weight of 1891.18 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one.

Molecular Properties

• Compound Name: 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one
• PubChem CID: 159829944
• Molecular Formula: C108H133Cl4N17O5
• Molecular Weight: 1891.18 g/mol
• Exact Mass: 1887.94
• IUPAC Name: 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one
• SMILES: CN1CCC(CCCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.CN1CCN(C)C(CCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)C1.O=C(CCCN1CCCCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C28H35ClN4O.C27H34ClN5O.C27H33ClN4O.C26H31ClN4O2/c1-31-15-10-21(11-16-31)3-2-4-28(34)32-17-12-22(13-18-32)26-20-33(24-7-5-23(29)6-8-24)27-19-30-14-9-25(26)27;1-30-15-16-31(2)23(18-30)7-8-27(34)32-13-10-20(11-14-32)25-19-33(22-5-3-21(28)4-6-22)26-17-29-12-9-24(25)26;28-22-6-8-23(9-7-22)32-20-25(24-10-13-29-19-26(24)32)21-11-17-31(18-12-21)27(33)5-4-16-30-14-2-1-3-15-30;27-21-3-5-22(6-4-21)31-19-24(23-7-10-28-18-25(23)31)20-8-12-30(13-9-20)26(32)2-1-11-29-14-16-33-17-15-29/h5-9,14,19-22H,2-4,10-13,15-18H2,1H3;3-6,9,12,17,19-20,23H,7-8,10-11,13-16,18H2,1-2H3;6-10,13,19-21H,1-5,11-12,14-18H2;3-7,10,18-20H,1-2,8-9,11-17H2
• InChIKey: NNIJOKBAEUPPFW-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 177.95 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.18
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one?

The IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one (CID 159829944) is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one.

What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one?

The canonical SMILES for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one is CN1CCC(CCCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.CN1CCN(C)C(CCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)C1.O=C(CCCN1CCCCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(CCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one?

The InChIKey is NNIJOKBAEUPPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O.C27H34ClN5O.C27H33ClN4O.C26H31ClN4O2/c1-31-15-10-21(11-16-31)3-2-4-28(34)32-17-12-22(13-18-32)26-20-33(24-7-5-23(29)6-8-24)27-19-30-14-9-25(26)27;1-30-15-16-31(2)23(18-30)7-8-27(34)32-13-10-20(11-14-32)25-19-33(22-5-3-21(28)4-6-22)26-17-29-12-9-24(25)26;28-22-6-8-23(9-7-22)32-20-25(24-10-13-29-19-26(24)32)21-11-17-31(18-12-21)27(33)5-4-16-30-14-2-1-3-15-30;27-21-3-5-22(6-4-21)31-19-24(23-7-10-28-18-25(23)31)20-8-12-30(13-9-20)26(32)2-1-11-29-14-16-33-17-15-29/h5-9,14,19-22H,2-4,10-13,15-18H2,1H3;3-6,9,12,17,19-20,23H,7-8,10-11,13-16,18H2,1-2H3;6-10,13,19-21H,1-5,11-12,14-18H2;3-7,10,18-20H,1-2,8-9,11-17H2.

What are the key properties of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one?

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one has a molecular weight of 1891.18 g/mol, XLogP of 20.46, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 159829944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).