5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde

C94H88N12O8S2 — CID 162238152

About 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde

5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde (PubChem CID 162238152) has the molecular formula C94H88N12O8S2 and a molecular weight of 1577.95 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde.

Molecular Properties

• Compound Name: 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde
• PubChem CID: 162238152
• Molecular Formula: C94H88N12O8S2
• Molecular Weight: 1577.95 g/mol
• Exact Mass: 1576.63
• IUPAC Name: 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde
• SMILES: COc1cc(-c2cnc3c(c2)C(c2ccc4[nH]ccc4c2)=CC3)ccc1CN1CCN(C)CC1.COc1cc(-c2cnc3c(c2)c(-c2ccc4[nH]ccc4c2)cn3S(=O)(=O)c2ccc(C)cc2)ccc1C=O.COc1cc(-c2cnc3c(c2)c(-c2ccc4[nH]ccc4c2)cn3S(=O)(=O)c2ccc(C)cc2)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C35H35N5O3S.C30H23N3O4S.C29H30N4O/c1-24-4-9-30(10-5-24)44(41,42)40-23-32(26-8-11-33-27(18-26)12-13-36-33)31-19-29(21-37-35(31)40)25-6-7-28(34(20-25)43-3)22-39-16-14-38(2)15-17-39;1-19-3-8-25(9-4-19)38(35,36)33-17-27(21-7-10-28-22(13-21)11-12-31-28)26-14-24(16-32-30(26)33)20-5-6-23(18-34)29(15-20)37-2;1-32-11-13-33(14-12-32)19-23-4-3-20(17-29(23)34-2)24-16-26-25(6-8-28(26)31-18-24)21-5-7-27-22(15-21)9-10-30-27/h4-13,18-21,23,36H,14-17,22H2,1-3H3;3-18,31H,1-2H3;3-7,9-10,15-18,30H,8,11-14,19H2,1-2H3
• InChIKey: ZWIMQOPHOKZZSR-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 221.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.95
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde?

The IUPAC name of 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde (CID 162238152) is 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde.

What is the SMILES notation for 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde?

The canonical SMILES for 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde is COc1cc(-c2cnc3c(c2)C(c2ccc4[nH]ccc4c2)=CC3)ccc1CN1CCN(C)CC1.COc1cc(-c2cnc3c(c2)c(-c2ccc4[nH]ccc4c2)cn3S(=O)(=O)c2ccc(C)cc2)ccc1C=O.COc1cc(-c2cnc3c(c2)c(-c2ccc4[nH]ccc4c2)cn3S(=O)(=O)c2ccc(C)cc2)ccc1CN1CCN(C)CC1.

What is the InChIKey of 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde?

The InChIKey is ZWIMQOPHOKZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N5O3S.C30H23N3O4S.C29H30N4O/c1-24-4-9-30(10-5-24)44(41,42)40-23-32(26-8-11-33-27(18-26)12-13-36-33)31-19-29(21-37-35(31)40)25-6-7-28(34(20-25)43-3)22-39-16-14-38(2)15-17-39;1-19-3-8-25(9-4-19)38(35,36)33-17-27(21-7-10-28-22(13-21)11-12-31-28)26-14-24(16-32-30(26)33)20-5-6-23(18-34)29(15-20)37-2;1-32-11-13-33(14-12-32)19-23-4-3-20(17-29(23)34-2)24-16-26-25(6-8-28(26)31-18-24)21-5-7-27-22(15-21)9-10-30-27/h4-13,18-21,23,36H,14-17,22H2,1-3H3;3-18,31H,1-2H3;3-7,9-10,15-18,30H,8,11-14,19H2,1-2H3.

What are the key properties of 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde?

5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde has a molecular weight of 1577.95 g/mol, XLogP of 17.34, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1H-indol-5-yl)-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzaldehyde is sourced from PubChem (CID 162238152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).