ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

C17H17FN4O3 — CID 23738699

IUPACethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1cccc(F)c1
InChIInChI=1S/C17H17FN4O3/c1-3-25-16(23)11-8(2)20-15-13(14(19)21-17(24)22-15)12(11)9-5-4-6-10(18)7-9/h4-7,12H,3H2,1-2H3,(H4,19,20,21,22,24)
InChIKeyOGRHOKGWWCUQOV-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.89
Rot. Bonds3

About ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23738699) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID23738699
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Nameethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1cccc(F)c1
InChIInChI=1S/C17H17FN4O3/c1-3-25-16(23)11-8(2)20-15-13(14(19)21-17(24)22-15)12(11)9-5-4-6-10(18)7-9/h4-7,12H,3H2,1-2H3,(H4,19,20,21,22,24)
InChIKeyOGRHOKGWWCUQOV-UHFFFAOYSA-N
XLogP1.89
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 23738699) is ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1cccc(F)c1.
What is the InChIKey of ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is OGRHOKGWWCUQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-3-25-16(23)11-8(2)20-15-13(14(19)21-17(24)22-15)12(11)9-5-4-6-10(18)7-9/h4-7,12H,3H2,1-2H3,(H4,19,20,21,22,24).
What are the key properties of ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 344.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23738699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).