N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine

C26H26F3N4OP — CID 170619357

About N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine

N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine (PubChem CID 170619357) has the molecular formula C26H26F3N4OP and a molecular weight of 498.49 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine
• PubChem CID: 170619357
• Molecular Formula: C26H26F3N4OP
• Molecular Weight: 498.49 g/mol
• Exact Mass: 498.18
• IUPAC Name: N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine
• SMILES: Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(N[C@H](C)c2cccc(C(F)F)c2)c1C
• InChI: InChI=1S/C26H26F3N4OP/c1-14-15(2)31-21-12-20(27)24(19-9-10-22(30-13-19)35(4,5)34)33-25(21)23(14)32-16(3)17-7-6-8-18(11-17)26(28)29/h6-13,16,26H,1-5H3,(H,31,32)/t16-/m1/s1
• InChIKey: QYAXRWKGNWCVIK-MRXNPFEDSA-N
• XLogP: 6.81
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.49
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
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 N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine?

The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine (CID 170619357) is N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine.

What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine?

The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(N[C@H](C)c2cccc(C(F)F)c2)c1C.

What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine?

The InChIKey is QYAXRWKGNWCVIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H26F3N4OP/c1-14-15(2)31-21-12-20(27)24(19-9-10-22(30-13-19)35(4,5)34)33-25(21)23(14)32-16(3)17-7-6-8-18(11-17)26(28)29/h6-13,16,26H,1-5H3,(H,31,32)/t16-/m1/s1.

What are the key properties of N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine?

N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine has a molecular weight of 498.49 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 170619357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).