4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol

C27H29N3O — CID 157118893

About 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol

4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (PubChem CID 157118893) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.

Molecular Properties

• Compound Name: 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
• PubChem CID: 157118893
• Molecular Formula: C27H29N3O
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.23
• IUPAC Name: 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
• SMILES: CC1=C(c2ccc(O)cc2)c2cc(-c3ccc(CN4CCN(C)CC4)cc3)cnc2C1
• InChI: InChI=1S/C27H29N3O/c1-19-15-26-25(27(19)22-7-9-24(31)10-8-22)16-23(17-28-26)21-5-3-20(4-6-21)18-30-13-11-29(2)12-14-30/h3-10,16-17,31H,11-15,18H2,1-2H3
• InChIKey: IJXWLBFBGNXNLR-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 39.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?

The IUPAC name of 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (CID 157118893) is 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.

What is the SMILES notation for 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?

The canonical SMILES for 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is CC1=C(c2ccc(O)cc2)c2cc(-c3ccc(CN4CCN(C)CC4)cc3)cnc2C1.

What is the InChIKey of 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?

The InChIKey is IJXWLBFBGNXNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-19-15-26-25(27(19)22-7-9-24(31)10-8-22)16-23(17-28-26)21-5-3-20(4-6-21)18-30-13-11-29(2)12-14-30/h3-10,16-17,31H,11-15,18H2,1-2H3.

What are the key properties of 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?

4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol has a molecular weight of 411.55 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is sourced from PubChem (CID 157118893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).