ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate

C20H25N5O3 — CID 14677557

About ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 14677557) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
• PubChem CID: 14677557
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
• SMILES: CCOC(=O)N1CCC(Nc2nc3cccnc3n2Cc2occc2C)CC1
• InChI: InChI=1S/C20H25N5O3/c1-3-27-20(26)24-10-6-15(7-11-24)22-19-23-16-5-4-9-21-18(16)25(19)13-17-14(2)8-12-28-17/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3,(H,22,23)
• InChIKey: UALNIVARXCYPSL-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 85.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?

The IUPAC name of ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate (CID 14677557) is ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate.

What is the SMILES notation for ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?

The canonical SMILES for ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc3cccnc3n2Cc2occc2C)CC1.

What is the InChIKey of ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?

The InChIKey is UALNIVARXCYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-27-20(26)24-10-6-15(7-11-24)22-19-23-16-5-4-9-21-18(16)25(19)13-17-14(2)8-12-28-17/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3,(H,22,23).

What are the key properties of ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate?

ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 14677557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).