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

C25H15Cl2FN4S — CID 15093695

IUPAC4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione
SMILESNc1c2c(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)nc2nc(=S)n1-c1ccccc1F
InChIInChI=1S/C25H15Cl2FN4S/c26-16-9-5-14(6-10-16)18-13-20(15-7-11-17(27)12-8-15)30-24-22(18)23(29)32(25(33)31-24)21-4-2-1-3-19(21)28/h1-13H,29H2
InChIKeyNICDFJGNFVMPBY-UHFFFAOYSA-N
MW493.39 g/mol
LogP7.51
Rot. Bonds3

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

4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione (PubChem CID 15093695) has the molecular formula C25H15Cl2FN4S and a molecular weight of 493.39 g/mol. Its IUPAC name is 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione
PubChem CID15093695
Molecular FormulaC25H15Cl2FN4S
Molecular Weight493.39 g/mol
Exact Mass492.04
IUPAC Name4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione
SMILESNc1c2c(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)nc2nc(=S)n1-c1ccccc1F
InChIInChI=1S/C25H15Cl2FN4S/c26-16-9-5-14(6-10-16)18-13-20(15-7-11-17(27)12-8-15)30-24-22(18)23(29)32(25(33)31-24)21-4-2-1-3-19(21)28/h1-13H,29H2
InChIKeyNICDFJGNFVMPBY-UHFFFAOYSA-N
XLogP7.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.39
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2-thione
CID 10068509
4-amino-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidine-2-thione
CID 10051659
7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-hydrazinyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 155806988
2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
CID 14551214
5,7-bis(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 6199734
1-(2-bromophenyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 43542919
7-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 100991287
2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135949024
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine
CID 123998199
3-(4-chlorophenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 4896211

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione?
The IUPAC name of 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione (CID 15093695) is 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione is Nc1c2c(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)nc2nc(=S)n1-c1ccccc1F.
What is the InChIKey of 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione?
The InChIKey is NICDFJGNFVMPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2FN4S/c26-16-9-5-14(6-10-16)18-13-20(15-7-11-17(27)12-8-15)30-24-22(18)23(29)32(25(33)31-24)21-4-2-1-3-19(21)28/h1-13H,29H2.
What are the key properties of 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione?
4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione has a molecular weight of 493.39 g/mol, XLogP of 7.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,7-bis(4-chlorophenyl)-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2-thione is sourced from PubChem (CID 15093695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).