4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone

C116H136Cl5N21O5 — CID 159525548

About 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone

4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone (PubChem CID 159525548) has the molecular formula C116H136Cl5N21O5 and a molecular weight of 2081.77 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;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone
• PubChem CID: 159525548
• Molecular Formula: C116H136Cl5N21O5
• Molecular Weight: 2081.77 g/mol
• Exact Mass: 2077.95
• IUPAC Name: 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone
• SMILES: CN(C)CCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(N1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C25H31ClN4O.C23H26ClN5O.2C23H27ClN4O.C22H25ClN4O/c1-28(2)14-4-3-5-25(31)29-15-11-19(12-16-29)23-18-30(21-8-6-20(26)7-9-21)24-17-27-13-10-22(23)24;24-18-1-3-19(4-2-18)29-16-21(20-5-8-26-15-22(20)29)17-6-11-27(12-7-17)23(30)28-13-9-25-10-14-28;2*24-18-4-6-19(7-5-18)28-16-21(20-8-12-26-15-22(20)28)17-9-13-27(14-10-17)23(29)3-1-2-11-25;23-17-3-5-18(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/h6-10,13,17-19H,3-5,11-12,14-16H2,1-2H3;1-5,8,15-17,25H,6-7,9-14H2;2*4-8,12,15-17H,1-3,9-11,13-14,25H2;3-7,11,14-16H,1-2,8-10,12-13,24H2
• InChIKey: MCIJKKMZPDXVAE-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 287.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.77
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone?

The IUPAC name of 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone (CID 159525548) is 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone.

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;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone?

The canonical SMILES for 4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone is CN(C)CCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.NCCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.O=C(N1CCNCC1)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;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone?

The InChIKey is MCIJKKMZPDXVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O.C23H26ClN5O.2C23H27ClN4O.C22H25ClN4O/c1-28(2)14-4-3-5-25(31)29-15-11-19(12-16-29)23-18-30(21-8-6-20(26)7-9-21)24-17-27-13-10-22(23)24;24-18-1-3-19(4-2-18)29-16-21(20-5-8-26-15-22(20)29)17-6-11-27(12-7-17)23(30)28-13-9-25-10-14-28;2*24-18-4-6-19(7-5-18)28-16-21(20-8-12-26-15-22(20)28)17-9-13-27(14-10-17)23(29)3-1-2-11-25;23-17-3-5-18(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/h6-10,13,17-19H,3-5,11-12,14-16H2,1-2H3;1-5,8,15-17,25H,6-7,9-14H2;2*4-8,12,15-17H,1-3,9-11,13-14,25H2;3-7,11,14-16H,1-2,8-10,12-13,24H2.

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;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone?

4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone has a molecular weight of 2081.77 g/mol, XLogP of 22.15, 26 rotatable bonds, 4 hydrogen bond donors, and 20 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;bis(5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one);1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-(dimethylamino)pentan-1-one;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 159525548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).