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

IUPAC3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
SMILESCc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2cc(C3CC3)ccc2F)c1Cl
InChIInChI=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)
InChIKeyXOHIJIRGHIBJED-UHFFFAOYSA-N
MW526.96 g/mol
LogP7.23
Rot. Bonds6

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 Name3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
PubChem CID174215624
Molecular FormulaC27H26ClF2N4OP
Molecular Weight526.96 g/mol
Exact Mass526.15
IUPAC Name3-chloro-N-[1-(5-cyclopropyl-2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
SMILESCc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2cc(C3CC3)ccc2F)c1Cl
InChIInChI=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)
InChIKeyXOHIJIRGHIBJED-UHFFFAOYSA-N
XLogP7.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.96
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).