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

C24H31FN4O — CID 92621455

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C24H31FN4O/c1-16(2)14-29-22(30)9-8-21-17(3)26-23(27-24(21)29)19-10-12-28(13-11-19)15-18-4-6-20(25)7-5-18/h4-7,16,19H,8-15H2,1-3H3
InChIKeyFWAZLCZXAKOCKR-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.24
Rot. Bonds5

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

2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92621455) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92621455
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C24H31FN4O/c1-16(2)14-29-22(30)9-8-21-17(3)26-23(27-24(21)29)19-10-12-28(13-11-19)15-18-4-6-20(25)7-5-18/h4-7,16,19H,8-15H2,1-3H3
InChIKeyFWAZLCZXAKOCKR-UHFFFAOYSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-3-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249395
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629351
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
4-methyl-8-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95806228
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-methylsulfonylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629310
8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124979409
4-methyl-8-(2-methylpropyl)-2-[(2S)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124939665
4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629168
8-benzyl-2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249295
4-methyl-8-(2-methylpropyl)-2-[1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629358
2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629195

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92621455) is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2CC(C)C.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FWAZLCZXAKOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-16(2)14-29-22(30)9-8-21-17(3)26-23(27-24(21)29)19-10-12-28(13-11-19)15-18-4-6-20(25)7-5-18/h4-7,16,19H,8-15H2,1-3H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 410.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92621455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).