4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine

C111H111Cl4FN16O6 — CID 158107755

About 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine

4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine (PubChem CID 158107755) has the molecular formula C111H111Cl4FN16O6 and a molecular weight of 1926.02 g/mol. Its IUPAC name is 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine
• PubChem CID: 158107755
• Molecular Formula: C111H111Cl4FN16O6
• Molecular Weight: 1926.02 g/mol
• Exact Mass: 1922.76
• IUPAC Name: 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine
• SMILES: Cc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ccncc32)nc1.Clc1ccc(-n2cc(N3CCOCC3)c3ccncc32)cc1.Fc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.NCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C22H25ClN4O.C19H20N2O.C18H17ClN2O.C18H17FN2O.2C17H16ClN3O/c23-17-3-5-18(6-4-17)27-15-20(19-7-11-25-14-21(19)27)16-8-12-26(13-9-16)22(28)2-1-10-24;1-14-2-4-16(5-3-14)21-13-18(15-7-10-22-11-8-15)17-6-9-20-12-19(17)21;2*19-14-1-3-15(4-2-14)21-12-17(13-6-9-22-10-7-13)16-5-8-20-11-18(16)21;18-13-1-3-14(4-2-13)21-12-17(20-7-9-22-10-8-20)15-5-6-19-11-16(15)21;18-13-1-2-17(20-9-13)21-11-15(12-4-7-22-8-5-12)14-3-6-19-10-16(14)21/h3-7,11,14-16H,1-2,8-10,12-13,24H2;2-6,9,12-13,15H,7-8,10-11H2,1H3;2*1-5,8,11-13H,6-7,9-10H2;1-6,11-12H,7-10H2;1-3,6,9-12H,4-5,7-8H2
• InChIKey: FQAYFWZMDDHMAE-UHFFFAOYSA-N
• XLogP: 24.47
• TPSA: 215.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.02
LogP ≤ 5	24.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?

The IUPAC name of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine (CID 158107755) is 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine.

What is the SMILES notation for 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?

The canonical SMILES for 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine is Cc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ccncc32)nc1.Clc1ccc(-n2cc(N3CCOCC3)c3ccncc32)cc1.Fc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.NCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?

The InChIKey is FQAYFWZMDDHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O.C19H20N2O.C18H17ClN2O.C18H17FN2O.2C17H16ClN3O/c23-17-3-5-18(6-4-17)27-15-20(19-7-11-25-14-21(19)27)16-8-12-26(13-9-16)22(28)2-1-10-24;1-14-2-4-16(5-3-14)21-13-18(15-7-10-22-11-8-15)17-6-9-20-12-19(17)21;2*19-14-1-3-15(4-2-14)21-12-17(13-6-9-22-10-7-13)16-5-8-20-11-18(16)21;18-13-1-3-14(4-2-13)21-12-17(20-7-9-22-10-8-20)15-5-6-19-11-16(15)21;18-13-1-2-17(20-9-13)21-11-15(12-4-7-22-8-5-12)14-3-6-19-10-16(14)21/h3-7,11,14-16H,1-2,8-10,12-13,24H2;2-6,9,12-13,15H,7-8,10-11H2,1H3;2*1-5,8,11-13H,6-7,9-10H2;1-6,11-12H,7-10H2;1-3,6,9-12H,4-5,7-8H2.

What are the key properties of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?

4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 1926.02 g/mol, XLogP of 24.47, 15 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 158107755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).