3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine

C27H26ClF2N4OP — CID 174215624

About 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine

3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (PubChem CID 174215624) has the molecular formula C27H26ClF2N4OP and a molecular weight of 526.96 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
• PubChem CID: 174215624
• Molecular Formula: C27H26ClF2N4OP
• Molecular Weight: 526.96 g/mol
• Exact Mass: 526.15
• IUPAC Name: 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
• SMILES: Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2cc(C3CC3)ccc2F)c1Cl
• InChI: InChI=1S/C27H26ClF2N4OP/c1-14(19-11-17(16-5-6-16)7-9-20(19)29)33-27-24(28)15(2)32-22-12-21(30)25(34-26(22)27)18-8-10-23(31-13-18)36(3,4)35/h7-14,16H,5-6H2,1-4H3,(H,32,33)
• InChIKey: XOHIJIRGHIBJED-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.96
LogP ≤ 5	7.23
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 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?

The IUPAC name of 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (CID 174215624) is 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.

What is the SMILES notation for 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?

The canonical SMILES for 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2cc(C3CC3)ccc2F)c1Cl.

What is the InChIKey of 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?

The InChIKey is XOHIJIRGHIBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N4OP/c1-14(19-11-17(16-5-6-16)7-9-20(19)29)33-27-24(28)15(2)32-22-12-21(30)25(34-26(22)27)18-8-10-23(31-13-18)36(3,4)35/h7-14,16H,5-6H2,1-4H3,(H,32,33).

What are the key properties of 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?

3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine has a molecular weight of 526.96 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 174215624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).