[4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

C27H27N3O3S — CID 157428940

About [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

[4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (PubChem CID 157428940) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
• PubChem CID: 157428940
• Molecular Formula: C27H27N3O3S
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.18
• IUPAC Name: [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
• SMILES: O=C(c1cccs1)N1CC=C(C2=CCc3ncc(-c4coc(CN5CCOCC5)c4)cc32)CC1
• InChI: InChI=1S/C27H27N3O3S/c31-27(26-2-1-13-34-26)30-7-5-19(6-8-30)23-3-4-25-24(23)15-20(16-28-25)21-14-22(33-18-21)17-29-9-11-32-12-10-29/h1-3,5,13-16,18H,4,6-12,17H2
• InChIKey: BQHJPJOKKOCEKK-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 58.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?

The IUPAC name of [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (CID 157428940) is [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?

The canonical SMILES for [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC=C(C2=CCc3ncc(-c4coc(CN5CCOCC5)c4)cc32)CC1.

What is the InChIKey of [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?

The InChIKey is BQHJPJOKKOCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c31-27(26-2-1-13-34-26)30-7-5-19(6-8-30)23-3-4-25-24(23)15-20(16-28-25)21-14-22(33-18-21)17-29-9-11-32-12-10-29/h1-3,5,13-16,18H,4,6-12,17H2.

What are the key properties of [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?

[4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 473.60 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[5-(morpholin-4-ylmethyl)furan-3-yl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 157428940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).