5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C22H19FN6S — CID 54140632

IUPAC5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C22H19FN6S/c23-16-4-1-14(2-5-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-3-6-19(25-12-15)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)
InChIKeyOAVUVEWNWVHHMT-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.03
Rot. Bonds3

About 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54140632) has the molecular formula C22H19FN6S and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54140632
Molecular FormulaC22H19FN6S
Molecular Weight418.50 g/mol
Exact Mass418.14
IUPAC Name5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C22H19FN6S/c23-16-4-1-14(2-5-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-3-6-19(25-12-15)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)
InChIKeyOAVUVEWNWVHHMT-UHFFFAOYSA-N
XLogP4.03
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54140632) is 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCSCC4)nc3)cc(-c3ccc(F)cc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OAVUVEWNWVHHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6S/c23-16-4-1-14(2-5-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-3-6-19(25-12-15)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28).
What are the key properties of 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 418.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-(6-thiomorpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54140632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).