2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C20H23FN4O3S — CID 92629922

IUPAC2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1F
InChIInChI=1S/C20H23FN4O3S/c1-12-6-7-14(11-16(12)21)29(27,28)25-10-4-5-17(25)19-22-13(2)15-8-9-18(26)24(3)20(15)23-19/h6-7,11,17H,4-5,8-10H2,1-3H3/t17-/m1/s1
InChIKeyHNARVHNLMBGRCN-QGZVFWFLSA-N
MW418.49 g/mol
LogP2.67
Rot. Bonds3

About 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629922) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629922
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1F
InChIInChI=1S/C20H23FN4O3S/c1-12-6-7-14(11-16(12)21)29(27,28)25-10-4-5-17(25)19-22-13(2)15-8-9-18(26)24(3)20(15)23-19/h6-7,11,17H,4-5,8-10H2,1-3H3/t17-/m1/s1
InChIKeyHNARVHNLMBGRCN-QGZVFWFLSA-N
XLogP2.67
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629922) is 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1F.
What is the InChIKey of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HNARVHNLMBGRCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-12-6-7-14(11-16(12)21)29(27,28)25-10-4-5-17(25)19-22-13(2)15-8-9-18(26)24(3)20(15)23-19/h6-7,11,17H,4-5,8-10H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 418.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).