1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate

C125H151Cl3N22O10 — CID 161243854

About 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate (PubChem CID 161243854) has the molecular formula C125H151Cl3N22O10 and a molecular weight of 2228.09 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate
• PubChem CID: 161243854
• Molecular Formula: C125H151Cl3N22O10
• Molecular Weight: 2228.09 g/mol
• Exact Mass: 2225.10
• IUPAC Name: 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate
• SMILES: CC(=O)CCCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCC(CCCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.CN1CCN(CCCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.Cc1ccc(-n2nc(N3CCOC(CNC(=O)OC(C)C)C3)c3ccncc32)cc1.Cc1ccc(-n2nc(N3CCOC(CNC(=O)OC4CC4)C3)c3ccncc32)cc1
• InChI: InChI=1S/C28H35ClN4O.C27H34ClN5O.C26H30ClN3O2.C22H25N5O3.C22H27N5O3/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;1-30-15-17-31(18-16-30)12-2-3-27(34)32-13-9-21(10-14-32)25-20-33(23-6-4-22(28)5-7-23)26-19-29-11-8-24(25)26;1-19(31)5-3-2-4-6-26(32)29-15-12-20(13-16-29)24-18-30(22-9-7-21(27)8-10-22)25-17-28-14-11-23(24)25;1-15-2-4-16(5-3-15)27-20-13-23-9-8-19(20)21(25-27)26-10-11-29-18(14-26)12-24-22(28)30-17-6-7-17;1-15(2)30-22(28)24-12-18-14-26(10-11-29-18)21-19-8-9-23-13-20(19)27(25-21)17-6-4-16(3)5-7-17/h5-9,14,19-22H,2-4,10-13,15-18H2,1H3;4-8,11,19-21H,2-3,9-10,12-18H2,1H3;7-11,14,17-18,20H,2-6,12-13,15-16H2,1H3;2-5,8-9,13,17-18H,6-7,10-12,14H2,1H3,(H,24,28);4-9,13,15,18H,10-12,14H2,1-3H3,(H,24,28)
• InChIKey: VAJDJGQPNBOBJS-UHFFFAOYSA-N
• XLogP: 22.13
• TPSA: 304.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.09
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate?

The IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate (CID 161243854) is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate.

What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate?

The canonical SMILES for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate is CC(=O)CCCCCC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN1CCC(CCCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.CN1CCN(CCCC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.Cc1ccc(-n2nc(N3CCOC(CNC(=O)OC(C)C)C3)c3ccncc32)cc1.Cc1ccc(-n2nc(N3CCOC(CNC(=O)OC4CC4)C3)c3ccncc32)cc1.

What is the InChIKey of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate?

The InChIKey is VAJDJGQPNBOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O.C27H34ClN5O.C26H30ClN3O2.C22H25N5O3.C22H27N5O3/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;1-30-15-17-31(18-16-30)12-2-3-27(34)32-13-9-21(10-14-32)25-20-33(23-6-4-22(28)5-7-23)26-19-29-11-8-24(25)26;1-19(31)5-3-2-4-6-26(32)29-15-12-20(13-16-29)24-18-30(22-9-7-21(27)8-10-22)25-17-28-14-11-23(24)25;1-15-2-4-16(5-3-15)27-20-13-23-9-8-19(20)21(25-27)26-10-11-29-18(14-26)12-24-22(28)30-17-6-7-17;1-15(2)30-22(28)24-12-18-14-26(10-11-29-18)21-19-8-9-23-13-20(19)27(25-21)17-6-4-16(3)5-7-17/h5-9,14,19-22H,2-4,10-13,15-18H2,1H3;4-8,11,19-21H,2-3,9-10,12-18H2,1H3;7-11,14,17-18,20H,2-6,12-13,15-16H2,1H3;2-5,8-9,13,17-18H,6-7,10-12,14H2,1H3,(H,24,28);4-9,13,15,18H,10-12,14H2,1-3H3,(H,24,28).

What are the key properties of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate?

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate has a molecular weight of 2228.09 g/mol, XLogP of 22.13, 30 rotatable bonds, 2 hydrogen bond donors, and 27 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]-4-(4-methylpiperazin-1-yl)butan-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]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 161243854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).