[difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane

C20H20F3N4OP — CID 143944150

About [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane

[difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane (PubChem CID 143944150) has the molecular formula C20H20F3N4OP and a molecular weight of 420.38 g/mol. Its IUPAC name is [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane.

Molecular Properties

• Compound Name: [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane
• PubChem CID: 143944150
• Molecular Formula: C20H20F3N4OP
• Molecular Weight: 420.38 g/mol
• Exact Mass: 420.13
• IUPAC Name: [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane
• SMILES: Cn1c(-c2ccc(OC(F)(F)P)cc2)nc2c1CN(Cc1ncccc1F)CC2
• InChI: InChI=1S/C20H20F3N4OP/c1-26-18-12-27(11-17-15(21)3-2-9-24-17)10-8-16(18)25-19(26)13-4-6-14(7-5-13)28-20(22,23)29/h2-7,9H,8,10-12,29H2,1H3
• InChIKey: BKOIKRLKIYPPPY-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.38
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane?

The IUPAC name of [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane (CID 143944150) is [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane.

What is the SMILES notation for [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane?

The canonical SMILES for [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane is Cn1c(-c2ccc(OC(F)(F)P)cc2)nc2c1CN(Cc1ncccc1F)CC2.

What is the InChIKey of [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane?

The InChIKey is BKOIKRLKIYPPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N4OP/c1-26-18-12-27(11-17-15(21)3-2-9-24-17)10-8-16(18)25-19(26)13-4-6-14(7-5-13)28-20(22,23)29/h2-7,9H,8,10-12,29H2,1H3.

What are the key properties of [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane?

[difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane has a molecular weight of 420.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane is sourced from PubChem (CID 143944150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).