[5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

C27H28N4O4 — CID 42429133

About [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

[5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 42429133) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
• PubChem CID: 42429133
• Molecular Formula: C27H28N4O4
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.21
• IUPAC Name: [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
• SMILES: COc1ccc(-c2ccc(C(=O)N3CCC(n4c([C@@H]5CCCO5)nc5cccnc54)CC3)o2)cc1
• InChI: InChI=1S/C27H28N4O4/c1-33-20-8-6-18(7-9-20)22-10-11-24(35-22)27(32)30-15-12-19(13-16-30)31-25-21(4-2-14-28-25)29-26(31)23-5-3-17-34-23/h2,4,6-11,14,19,23H,3,5,12-13,15-17H2,1H3/t23-/m0/s1
• InChIKey: INNMTPVAFXVLAI-QHCPKHFHSA-N
• XLogP: 5.03
• TPSA: 82.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

The IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (CID 42429133) is [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

The canonical SMILES for [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC(n4c([C@@H]5CCCO5)nc5cccnc54)CC3)o2)cc1.

What is the InChIKey of [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

The InChIKey is INNMTPVAFXVLAI-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-33-20-8-6-18(7-9-20)22-10-11-24(35-22)27(32)30-15-12-19(13-16-30)31-25-21(4-2-14-28-25)29-26(31)23-5-3-17-34-23/h2,4,6-11,14,19,23H,3,5,12-13,15-17H2,1H3/t23-/m0/s1.

What are the key properties of [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

[5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 472.55 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42429133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).