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

C24H21Cl2F2N4P — CID 170449612

IUPAC3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
SMILESCCP(C)c1ccc(-c2nc3c(NCc4cc(F)cc(Cl)c4)c(Cl)c(C)nc3cc2F)cn1
InChIInChI=1S/C24H21Cl2F2N4P/c1-4-33(3)20-6-5-15(12-29-20)22-18(28)10-19-23(32-22)24(21(26)13(2)31-19)30-11-14-7-16(25)9-17(27)8-14/h5-10,12H,4,11H2,1-3H3,(H,30,31)
InChIKeyDOAMCBBAKBDRRX-UHFFFAOYSA-N
MW505.34 g/mol
LogP6.95
Rot. Bonds6

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

3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (PubChem CID 170449612) has the molecular formula C24H21Cl2F2N4P and a molecular weight of 505.34 g/mol. Its IUPAC name is 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
PubChem CID170449612
Molecular FormulaC24H21Cl2F2N4P
Molecular Weight505.34 g/mol
Exact Mass504.08
IUPAC Name3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
SMILESCCP(C)c1ccc(-c2nc3c(NCc4cc(F)cc(Cl)c4)c(Cl)c(C)nc3cc2F)cn1
InChIInChI=1S/C24H21Cl2F2N4P/c1-4-33(3)20-6-5-15(12-29-20)22-18(28)10-19-23(32-22)24(21(26)13(2)31-19)30-11-14-7-16(25)9-17(27)8-14/h5-10,12H,4,11H2,1-3H3,(H,30,31)
InChIKeyDOAMCBBAKBDRRX-UHFFFAOYSA-N
XLogP6.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.34
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine with MolForge

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Related Compounds

3-[[[3-chloro-6-[6-[ethyl(methyl)phosphoryl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]methyl]-4-fluorobenzonitrile
CID 170447903
[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane
CID 170446076
3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-1,5-naphthyridin-4-amine
CID 174227563
[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]oxymethyl-dimethylphosphane
CID 170449520
1-[3-[(1R)-1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-4-fluorophenyl]ethane-1,2-diol
CID 126531141
3-chloro-7-fluoro-2,4-dimethyl-6-(2-methylpyrimidin-5-yl)-1,5-naphthyridine
CID 166558223
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
N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
CID 174227570
[5-(3,4-dichloro-7-fluoro-2-methylquinolin-6-yl)-2-pyridinyl]-dimethylphosphane
CID 170446520
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
1-[3-[1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]phenyl]ethane-1,2-diol
CID 135286511

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
The IUPAC name of 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (CID 170449612) is 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is CCP(C)c1ccc(-c2nc3c(NCc4cc(F)cc(Cl)c4)c(Cl)c(C)nc3cc2F)cn1.
What is the InChIKey of 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
The InChIKey is DOAMCBBAKBDRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F2N4P/c1-4-33(3)20-6-5-15(12-29-20)22-18(28)10-19-23(32-22)24(21(26)13(2)31-19)30-11-14-7-16(25)9-17(27)8-14/h5-10,12H,4,11H2,1-3H3,(H,30,31).
What are the key properties of 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine has a molecular weight of 505.34 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-6-[6-[ethyl(methyl)phosphanyl]-3-pyridinyl]-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 170449612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).