1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea

C23H26FN7O3 — CID 24810936

IUPAC1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
SMILESCCN1C(=O)N(c2ccc(F)c(NC(=O)Nc3cc(C(C)C)no3)c2)Cc2cnc(NC)cc21
InChIInChI=1S/C23H26FN7O3/c1-5-30-19-10-20(25-4)26-11-14(19)12-31(23(30)33)15-6-7-16(24)18(8-15)27-22(32)28-21-9-17(13(2)3)29-34-21/h6-11,13H,5,12H2,1-4H3,(H,25,26)(H2,27,28,32)
InChIKeyAINCWWHTSZJVJT-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.98
Rot. Bonds6

About 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea

1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea (PubChem CID 24810936) has the molecular formula C23H26FN7O3 and a molecular weight of 467.51 g/mol. Its IUPAC name is 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
PubChem CID24810936
Molecular FormulaC23H26FN7O3
Molecular Weight467.51 g/mol
Exact Mass467.21
IUPAC Name1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
SMILESCCN1C(=O)N(c2ccc(F)c(NC(=O)Nc3cc(C(C)C)no3)c2)Cc2cnc(NC)cc21
InChIInChI=1S/C23H26FN7O3/c1-5-30-19-10-20(25-4)26-11-14(19)12-31(23(30)33)15-6-7-16(24)18(8-15)27-22(32)28-21-9-17(13(2)3)29-34-21/h6-11,13H,5,12H2,1-4H3,(H,25,26)(H2,27,28,32)
InChIKeyAINCWWHTSZJVJT-UHFFFAOYSA-N
XLogP4.98
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-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-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea (CID 24810936) is 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-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-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea is CCN1C(=O)N(c2ccc(F)c(NC(=O)Nc3cc(C(C)C)no3)c2)Cc2cnc(NC)cc21.
What is the InChIKey of 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
The InChIKey is AINCWWHTSZJVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O3/c1-5-30-19-10-20(25-4)26-11-14(19)12-31(23(30)33)15-6-7-16(24)18(8-15)27-22(32)28-21-9-17(13(2)3)29-34-21/h6-11,13H,5,12H2,1-4H3,(H,25,26)(H2,27,28,32).
What are the key properties of 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea?
1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea has a molecular weight of 467.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-ethyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 24810936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).