2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H31FN4O2 — CID 92630384

IUPAC2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2F)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C25H31FN4O2/c1-16(2)15-30-23(32)13-11-19-17(3)27-24(28-25(19)30)21-9-6-14-29(21)22(31)12-10-18-7-4-5-8-20(18)26/h4-5,7-8,16,21H,6,9-15H2,1-3H3/t21-/m0/s1
InChIKeyGMOBJCAGBXEXEK-NRFANRHFSA-N
MW438.55 g/mol
LogP4.16
Rot. Bonds6

About 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630384) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630384
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2F)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C25H31FN4O2/c1-16(2)15-30-23(32)13-11-19-17(3)27-24(28-25(19)30)21-9-6-14-29(21)22(31)12-10-18-7-4-5-8-20(18)26/h4-5,7-8,16,21H,6,9-15H2,1-3H3/t21-/m0/s1
InChIKeyGMOBJCAGBXEXEK-NRFANRHFSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630565
4-methyl-8-(2-methylpropyl)-2-[(2S)-1-[4-(2-oxopyrrolidin-1-yl)butanoyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630520
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
2-[(2R)-1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-7-[2-(2-fluorophenyl)ethyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95832023
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631400
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627
4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260982
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630515
7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261743
N-[2-[(2R)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630420

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630384) is 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2F)nc2c1CCC(=O)N2CC(C)C.
What is the InChIKey of 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GMOBJCAGBXEXEK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-16(2)15-30-23(32)13-11-19-17(3)27-24(28-25(19)30)21-9-6-14-29(21)22(31)12-10-18-7-4-5-8-20(18)26/h4-5,7-8,16,21H,6,9-15H2,1-3H3/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 438.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).