5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

C25H18F2N4S — CID 11224573

IUPAC5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2c(-c3cccs3)nc3ncnc(N)c3c2-c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C25H18F2N4S/c1-13-5-7-15(10-17(13)26)20-21(16-8-6-14(2)18(27)11-16)23(19-4-3-9-32-19)31-25-22(20)24(28)29-12-30-25/h3-12H,1-2H3,(H2,28,29,30,31)
InChIKeySGKWBFDQCJDIDV-UHFFFAOYSA-N
MW444.51 g/mol
LogP6.56
Rot. Bonds3

About 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11224573) has the molecular formula C25H18F2N4S and a molecular weight of 444.51 g/mol. Its IUPAC name is 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11224573
Molecular FormulaC25H18F2N4S
Molecular Weight444.51 g/mol
Exact Mass444.12
IUPAC Name5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2c(-c3cccs3)nc3ncnc(N)c3c2-c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C25H18F2N4S/c1-13-5-7-15(10-17(13)26)20-21(16-8-6-14(2)18(27)11-16)23(19-4-3-9-32-19)31-25-22(20)24(28)29-12-30-25/h3-12H,1-2H3,(H2,28,29,30,31)
InChIKeySGKWBFDQCJDIDV-UHFFFAOYSA-N
XLogP6.56
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 11224573) is 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2c(-c3cccs3)nc3ncnc(N)c3c2-c2ccc(C)c(F)c2)cc1F.
What is the InChIKey of 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SGKWBFDQCJDIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4S/c1-13-5-7-15(10-17(13)26)20-21(16-8-6-14(2)18(27)11-16)23(19-4-3-9-32-19)31-25-22(20)24(28)29-12-30-25/h3-12H,1-2H3,(H2,28,29,30,31).
What are the key properties of 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 444.51 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-fluoro-4-methylphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11224573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).