[4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

C28H35FN6O — CID 143495479

About [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone

[4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 143495479) has the molecular formula C28H35FN6O and a molecular weight of 490.63 g/mol. Its IUPAC name is [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
• PubChem CID: 143495479
• Molecular Formula: C28H35FN6O
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.29
• IUPAC Name: [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
• SMILES: CC/C=C\Cc1nc2cccnc2n1C1CCN(C(=O)C2(F)CCN(Cc3cccnc3)CC2)CC1
• InChI: InChI=1S/C28H35FN6O/c1-2-3-4-9-25-32-24-8-6-15-31-26(24)35(25)23-10-16-34(17-11-23)27(36)28(29)12-18-33(19-13-28)21-22-7-5-14-30-20-22/h3-8,14-15,20,23H,2,9-13,16-19,21H2,1H3/b4-3-
• InChIKey: SIOKPHGGFUHATR-ARJAWSKDSA-N
• XLogP: 4.50
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

The IUPAC name of [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone (CID 143495479) is [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

The canonical SMILES for [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is CC/C=C\Cc1nc2cccnc2n1C1CCN(C(=O)C2(F)CCN(Cc3cccnc3)CC2)CC1.

What is the InChIKey of [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

The InChIKey is SIOKPHGGFUHATR-ARJAWSKDSA-N. The full InChI is InChI=1S/C28H35FN6O/c1-2-3-4-9-25-32-24-8-6-15-31-26(24)35(25)23-10-16-34(17-11-23)27(36)28(29)12-18-33(19-13-28)21-22-7-5-14-30-20-22/h3-8,14-15,20,23H,2,9-13,16-19,21H2,1H3/b4-3-.

What are the key properties of [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone?

[4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 490.63 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-1-(pyridin-3-ylmethyl)piperidin-4-yl]-[4-[2-[(Z)-pent-2-enyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 143495479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).