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

C16H15FN4O2S — CID 23740498

IUPACmethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(N)c2C1c1cccc(F)c1
InChIInChI=1S/C16H15FN4O2S/c1-7-10(15(22)23-2)11(8-4-3-5-9(17)6-8)12-13(18)20-16(24)21-14(12)19-7/h3-6,11H,1-2H3,(H4,18,19,20,21,24)
InChIKeyCDCIIDGFYKNSJM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.86
Rot. Bonds2

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

methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23740498) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID23740498
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Namemethyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(=S)[nH]c(N)c2C1c1cccc(F)c1
InChIInChI=1S/C16H15FN4O2S/c1-7-10(15(22)23-2)11(8-4-3-5-9(17)6-8)12-13(18)20-16(24)21-14(12)19-7/h3-6,11H,1-2H3,(H4,18,19,20,21,24)
InChIKeyCDCIIDGFYKNSJM-UHFFFAOYSA-N
XLogP2.86
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 23740498) is methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nc(=S)[nH]c(N)c2C1c1cccc(F)c1.
What is the InChIKey of methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CDCIIDGFYKNSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-7-10(15(22)23-2)11(8-4-3-5-9(17)6-8)12-13(18)20-16(24)21-14(12)19-7/h3-6,11H,1-2H3,(H4,18,19,20,21,24).
What are the key properties of methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(3-fluorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23740498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).