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

C25H24FN5O2 — CID 110267500

IUPAC8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2/c1-16-20-10-11-22(32)31(15-17-6-8-19(26)9-7-17)24(20)29-23(28-16)21-5-3-13-30(21)25(33)18-4-2-12-27-14-18/h2,4,6-9,12,14,21H,3,5,10-11,13,15H2,1H3
InChIKeyLMFNOTGNDFMNRM-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.78
Rot. Bonds4

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

8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110267500) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110267500
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2/c1-16-20-10-11-22(32)31(15-17-6-8-19(26)9-7-17)24(20)29-23(28-16)21-5-3-13-30(21)25(33)18-4-2-12-27-14-18/h2,4,6-9,12,14,21H,3,5,10-11,13,15H2,1H3
InChIKeyLMFNOTGNDFMNRM-UHFFFAOYSA-N
XLogP3.78
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260892
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510
8-[(3-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268442
4-methyl-8-[(4-methylphenyl)methyl]-2-[(2S)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629925
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95838071
8-benzyl-2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260819
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629275
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629298
[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95833764
8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618772

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110267500) is 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LMFNOTGNDFMNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-20-10-11-22(32)31(15-17-6-8-19(26)9-7-17)24(20)29-23(28-16)21-5-3-13-30(21)25(33)18-4-2-12-27-14-18/h2,4,6-9,12,14,21H,3,5,10-11,13,15H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 445.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110267500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).