1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea

C25H27FN6O3 — CID 68983439

IUPAC1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
SMILESCCn1c(=O)c(-c2cc(NC(=O)Nc3cc(C(C)C)no3)c(F)cc2C)cc2cnc(NC)cc21
InChIInChI=1S/C25H27FN6O3/c1-6-32-21-11-22(27-5)28-12-15(21)8-17(24(32)33)16-9-20(18(26)7-14(16)4)29-25(34)30-23-10-19(13(2)3)31-35-23/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
InChIKeyJKYQRVUGVLCOLN-UHFFFAOYSA-N
MW478.53 g/mol
LogP5.33
Rot. Bonds6

About 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea

1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea (PubChem CID 68983439) has the molecular formula C25H27FN6O3 and a molecular weight of 478.53 g/mol. Its IUPAC name is 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
PubChem CID68983439
Molecular FormulaC25H27FN6O3
Molecular Weight478.53 g/mol
Exact Mass478.21
IUPAC Name1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
SMILESCCn1c(=O)c(-c2cc(NC(=O)Nc3cc(C(C)C)no3)c(F)cc2C)cc2cnc(NC)cc21
InChIInChI=1S/C25H27FN6O3/c1-6-32-21-11-22(27-5)28-12-15(21)8-17(24(32)33)16-9-20(18(26)7-14(16)4)29-25(34)30-23-10-19(13(2)3)31-35-23/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
InChIKeyJKYQRVUGVLCOLN-UHFFFAOYSA-N
XLogP5.33
TPSA114.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea (CID 68983439) is 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea is CCn1c(=O)c(-c2cc(NC(=O)Nc3cc(C(C)C)no3)c(F)cc2C)cc2cnc(NC)cc21.
What is the InChIKey of 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
The InChIKey is JKYQRVUGVLCOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3/c1-6-32-21-11-22(27-5)28-12-15(21)8-17(24(32)33)16-9-20(18(26)7-14(16)4)29-25(34)30-23-10-19(13(2)3)31-35-23/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34).
What are the key properties of 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea has a molecular weight of 478.53 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 68983439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).