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

C18H16FN3O3S — CID 10133919

IUPAC8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C1CC1
InChIInChI=1S/C18H16FN3O3S/c1-10-9-11(19)3-6-13(10)16-14-7-8-15(23)22(12-4-5-12)17(14)21-18(20-16)26(2,24)25/h3,6-9,12H,4-5H2,1-2H3
InChIKeyBZWIDJUKZAAWQY-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.64
Rot. Bonds3

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

8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10133919) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10133919
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C1CC1
InChIInChI=1S/C18H16FN3O3S/c1-10-9-11(19)3-6-13(10)16-14-7-8-15(23)22(12-4-5-12)17(14)21-18(20-16)26(2,24)25/h3,6-9,12H,4-5H2,1-2H3
InChIKeyBZWIDJUKZAAWQY-UHFFFAOYSA-N
XLogP2.64
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 10133919) is 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C1CC1.
What is the InChIKey of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BZWIDJUKZAAWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-10-9-11(19)3-6-13(10)16-14-7-8-15(23)22(12-4-5-12)17(14)21-18(20-16)26(2,24)25/h3,6-9,12H,4-5H2,1-2H3.
What are the key properties of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 373.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10133919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).