3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine

C23H22ClFN5OP — CID 170445368

IUPAC3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine
SMILESCc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(N[C@H](C)c2cccnc2)c1Cl
InChIInChI=1S/C23H22ClFN5OP/c1-13(15-6-5-9-26-11-15)29-23-20(24)14(2)28-18-10-17(25)21(30-22(18)23)16-7-8-19(27-12-16)32(3,4)31/h5-13H,1-4H3,(H,28,29)/t13-/m1/s1
InChIKeyWBEKNIVSOBFZJZ-CYBMUJFWSA-N
MW469.89 g/mol
LogP5.61
Rot. Bonds5

About 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine

3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine (PubChem CID 170445368) has the molecular formula C23H22ClFN5OP and a molecular weight of 469.89 g/mol. Its IUPAC name is 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine
PubChem CID170445368
Molecular FormulaC23H22ClFN5OP
Molecular Weight469.89 g/mol
Exact Mass469.12
IUPAC Name3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine
SMILESCc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(N[C@H](C)c2cccnc2)c1Cl
InChIInChI=1S/C23H22ClFN5OP/c1-13(15-6-5-9-26-11-15)29-23-20(24)14(2)28-18-10-17(25)21(30-22(18)23)16-7-8-19(27-12-16)32(3,4)31/h5-13H,1-4H3,(H,28,29)/t13-/m1/s1
InChIKeyWBEKNIVSOBFZJZ-CYBMUJFWSA-N
XLogP5.61
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.89
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine
CID 174227563
3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine
CID 170438329
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 174227570
3-chloro-N-[1-(2,3-difluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 170942627
3-chloro-N-[(1R)-1-(2,3-difluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 170445167
N-[(1R)-1-[3-(difluoromethyl)phenyl]ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2,3-dimethyl-1,5-naphthyridin-4-amine
CID 170619357
6-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-5-fluoropyridine-2-carbonitrile
CID 174227486
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
3-chloro-N-[2,2-difluoro-1-(2-fluorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 170438344
3-[1-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 174227539
(2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol
CID 170438220
3-chloro-6-(2-dimethylphosphorylpyrimidin-5-yl)-7-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine
CID 170444845

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine (CID 170445368) is 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(N[C@H](C)c2cccnc2)c1Cl.
What is the InChIKey of 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine?
The InChIKey is WBEKNIVSOBFZJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H22ClFN5OP/c1-13(15-6-5-9-26-11-15)29-23-20(24)14(2)28-18-10-17(25)21(30-22(18)23)16-7-8-19(27-12-16)32(3,4)31/h5-13H,1-4H3,(H,28,29)/t13-/m1/s1.
What are the key properties of 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine?
3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine has a molecular weight of 469.89 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 170445368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).