4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide

C29H39N5OS — CID 146886016

About 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 146886016) has the molecular formula C29H39N5OS and a molecular weight of 505.73 g/mol. Its IUPAC name is 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 146886016
• Molecular Formula: C29H39N5OS
• Molecular Weight: 505.73 g/mol
• Exact Mass: 505.29
• IUPAC Name: 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)s4)cc32)CC1
• InChI: InChI=1S/C29H39N5OS/c1-4-23(5-2)31-29(35)34-12-10-21(11-13-34)25-7-8-27-26(25)18-22(19-30-27)28-9-6-24(36-28)20-33-16-14-32(3)15-17-33/h6-7,9-10,18-19,23H,4-5,8,11-17,20H2,1-3H3,(H,31,35)
• InChIKey: SWUULWHFHYNUCF-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.73
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 146886016) is 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide is CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)s4)cc32)CC1.

What is the InChIKey of 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is SWUULWHFHYNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5OS/c1-4-23(5-2)31-29(35)34-12-10-21(11-13-34)25-7-8-27-26(25)18-22(19-30-27)28-9-6-24(36-28)20-33-16-14-32(3)15-17-33/h6-7,9-10,18-19,23H,4-5,8,11-17,20H2,1-3H3,(H,31,35).

What are the key properties of 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide?

4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 505.73 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 146886016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).