5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one

C25H23F2N3O2 — CID 20791036

IUPAC5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(NCc1cccc(F)c1)n2Cc1cccc(F)c1
InChIInChI=1S/C25H23F2N3O2/c1-3-32-25-24-21(10-16(2)29-25)30(15-18-7-5-9-20(27)12-18)23(13-22(24)31)28-14-17-6-4-8-19(26)11-17/h4-13,28H,3,14-15H2,1-2H3
InChIKeyBDUNFKKFNSMNRF-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.04
Rot. Bonds7

About 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one

5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one (PubChem CID 20791036) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one
PubChem CID20791036
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(NCc1cccc(F)c1)n2Cc1cccc(F)c1
InChIInChI=1S/C25H23F2N3O2/c1-3-32-25-24-21(10-16(2)29-25)30(15-18-7-5-9-20(27)12-18)23(13-22(24)31)28-14-17-6-4-8-19(26)11-17/h4-13,28H,3,14-15H2,1-2H3
InChIKeyBDUNFKKFNSMNRF-UHFFFAOYSA-N
XLogP5.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
CID 162655994
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10112903
2-Anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4(1h)-one
CID 10113164
2-Anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one
CID 10159436
5-Ethoxy-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one
CID 10179554
2-Anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 10201429
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10223955
2-Anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10294808
2-Anilino-1-phenyl-7-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one
CID 20790472
2-Anilino-7-(2,2-difluoroethoxy)-1-phenyl-1,6-naphthyridin-4-one
CID 20790629
5-Ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one
CID 20791033
5-Ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one
CID 20791039

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one (CID 20791036) is 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one is CCOc1nc(C)cc2c1c(=O)cc(NCc1cccc(F)c1)n2Cc1cccc(F)c1.
What is the InChIKey of 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
The InChIKey is BDUNFKKFNSMNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-3-32-25-24-21(10-16(2)29-25)30(15-18-7-5-9-20(27)12-18)23(13-22(24)31)28-14-17-6-4-8-19(26)11-17/h4-13,28H,3,14-15H2,1-2H3.
What are the key properties of 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one has a molecular weight of 435.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[(3-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylamino]-7-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20791036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).