4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C17H16FN3O3S — CID 10109217

IUPAC4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C17H16FN3O3S/c1-10(2)21-14(22)9-8-12-15(11-6-4-5-7-13(11)18)19-17(20-16(12)21)25(3,23)24/h4-10H,1-3H3
InChIKeyHMMKRBGRBUXIEV-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.58
Rot. Bonds3

About 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10109217) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10109217
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C17H16FN3O3S/c1-10(2)21-14(22)9-8-12-15(11-6-4-5-7-13(11)18)19-17(20-16(12)21)25(3,23)24/h4-10H,1-3H3
InChIKeyHMMKRBGRBUXIEV-UHFFFAOYSA-N
XLogP2.58
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 10109217) is 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(S(C)(=O)=O)nc21.
What is the InChIKey of 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HMMKRBGRBUXIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-10(2)21-14(22)9-8-12-15(11-6-4-5-7-13(11)18)19-17(20-16(12)21)25(3,23)24/h4-10H,1-3H3.
What are the key properties of 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 361.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10109217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).