7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

C15H14F3N5OS — CID 29090254

IUPAC7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21
InChIInChI=1S/C15H14F3N5OS/c1-7(2)23-12-11(13(24)20-14(23)25)8(15(16,17)18)6-10(19-12)9-4-5-22(3)21-9/h4-7H,1-3H3,(H,20,24,25)
InChIKeyJYELPZWSWCJNSJ-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.45
Rot. Bonds2

About 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 29090254) has the molecular formula C15H14F3N5OS and a molecular weight of 369.37 g/mol. Its IUPAC name is 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID29090254
Molecular FormulaC15H14F3N5OS
Molecular Weight369.37 g/mol
Exact Mass369.09
IUPAC Name7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21
InChIInChI=1S/C15H14F3N5OS/c1-7(2)23-12-11(13(24)20-14(23)25)8(15(16,17)18)6-10(19-12)9-4-5-22(3)21-9/h4-7H,1-3H3,(H,20,24,25)
InChIKeyJYELPZWSWCJNSJ-UHFFFAOYSA-N
XLogP3.45
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (CID 29090254) is 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21.
What is the InChIKey of 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JYELPZWSWCJNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5OS/c1-7(2)23-12-11(13(24)20-14(23)25)8(15(16,17)18)6-10(19-12)9-4-5-22(3)21-9/h4-7H,1-3H3,(H,20,24,25).
What are the key properties of 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 369.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-3-yl)-1-propan-2-yl-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 29090254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).