4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione

C19H12ClFN4S — CID 10068509

IUPAC4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione
SMILESNc1[nH]c(=S)nc2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H12ClFN4S/c20-12-5-1-10(2-6-12)14-9-15(11-3-7-13(21)8-4-11)23-18-16(14)17(22)24-19(26)25-18/h1-9H,(H3,22,23,24,25,26)
InChIKeyIYNGWKJIHSEJJC-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.40
Rot. Bonds2

About 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione

4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione (PubChem CID 10068509) has the molecular formula C19H12ClFN4S and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione
PubChem CID10068509
Molecular FormulaC19H12ClFN4S
Molecular Weight382.85 g/mol
Exact Mass382.05
IUPAC Name4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione
SMILESNc1[nH]c(=S)nc2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H12ClFN4S/c20-12-5-1-10(2-6-12)14-9-15(11-3-7-13(21)8-4-11)23-18-16(14)17(22)24-19(26)25-18/h1-9H,(H3,22,23,24,25,26)
InChIKeyIYNGWKJIHSEJJC-UHFFFAOYSA-N
XLogP5.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione with MolForge

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

Launch Full Analysis

Related Compounds

7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-hydrazinyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 155806988
4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione
CID 15093695
5,7-bis(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 6199734
4-amino-5-(4-methoxyphenyl)-7-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-3H-pyrido[2,3-d]pyrimidine-2-thione
CID 46217619
2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135949024
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-1H-pyrimidine-2-thione
CID 135516765
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743
2-amino-6-(4-chlorophenyl)-4-(2,4-difluorophenyl)pyridine-3-carbonitrile
CID 3379854
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole
CID 67759328
4-amino-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidine-2-thione
CID 10051659

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione?
The IUPAC name of 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione (CID 10068509) is 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione is Nc1[nH]c(=S)nc2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione?
The InChIKey is IYNGWKJIHSEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4S/c20-12-5-1-10(2-6-12)14-9-15(11-3-7-13(21)8-4-11)23-18-16(14)17(22)24-19(26)25-18/h1-9H,(H3,22,23,24,25,26).
What are the key properties of 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione?
4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione has a molecular weight of 382.85 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 10068509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).