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

C21H25FN4O — CID 124979409

IUPAC8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCNC2)nc2c1CCC(=O)N2CCc1ccc(F)cc1
InChIInChI=1S/C21H25FN4O/c1-14-18-8-9-19(27)26(12-10-15-4-6-17(22)7-5-15)21(18)25-20(24-14)16-3-2-11-23-13-16/h4-7,16,23H,2-3,8-13H2,1H3/t16-/m0/s1
InChIKeyMBCSDDMYKGCEPV-INIZCTEOSA-N
MW368.46 g/mol
LogP2.91
Rot. Bonds4

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

8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 124979409) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID124979409
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCNC2)nc2c1CCC(=O)N2CCc1ccc(F)cc1
InChIInChI=1S/C21H25FN4O/c1-14-18-8-9-19(27)26(12-10-15-4-6-17(22)7-5-15)21(18)25-20(24-14)16-3-2-11-23-13-16/h4-7,16,23H,2-3,8-13H2,1H3/t16-/m0/s1
InChIKeyMBCSDDMYKGCEPV-INIZCTEOSA-N
XLogP2.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124953697
4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110085460
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125019326
4-methyl-8-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95806228
7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3R)-piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124954625
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629310
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-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92621455
8-(cyclopropylmethyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238
2-[(3R)-1-cyclohexylpiperidin-3-yl]-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124958114
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
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629275

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 124979409) is 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@H]2CCCNC2)nc2c1CCC(=O)N2CCc1ccc(F)cc1.
What is the InChIKey of 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MBCSDDMYKGCEPV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-14-18-8-9-19(27)26(12-10-15-4-6-17(22)7-5-15)21(18)25-20(24-14)16-3-2-11-23-13-16/h4-7,16,23H,2-3,8-13H2,1H3/t16-/m0/s1.
What are the key properties of 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 368.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 124979409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).