8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C19H18FN3OS — CID 10291745

IUPAC8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(CC3CC3)c2n1
InChIInChI=1S/C19H18FN3OS/c1-11-9-13(20)5-6-14(11)17-15-7-8-16(24)23(10-12-3-4-12)18(15)22-19(21-17)25-2/h5-9,12H,3-4,10H2,1-2H3
InChIKeyLKUHTMCVHALODK-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.04
Rot. Bonds4

About 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10291745) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10291745
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(CC3CC3)c2n1
InChIInChI=1S/C19H18FN3OS/c1-11-9-13(20)5-6-14(11)17-15-7-8-16(24)23(10-12-3-4-12)18(15)22-19(21-17)25-2/h5-9,12H,3-4,10H2,1-2H3
InChIKeyLKUHTMCVHALODK-UHFFFAOYSA-N
XLogP4.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 10291745) is 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(CC3CC3)c2n1.
What is the InChIKey of 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LKUHTMCVHALODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-11-9-13(20)5-6-14(11)17-15-7-8-16(24)23(10-12-3-4-12)18(15)22-19(21-17)25-2/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 355.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10291745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).