5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C24H22N4O — CID 135659156

IUPAC5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C24H22N4O/c29-23-21-20(19-11-9-18(10-12-19)17-7-3-1-4-8-17)13-14-25-22(21)26-24(27-23)28-15-5-2-6-16-28/h1,3-4,7-14H,2,5-6,15-16H2,(H,25,26,27,29)
InChIKeyWOBYRNBNEJXKLZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.64
Rot. Bonds3

About 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135659156) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135659156
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C24H22N4O/c29-23-21-20(19-11-9-18(10-12-19)17-7-3-1-4-8-17)13-14-25-22(21)26-24(27-23)28-15-5-2-6-16-28/h1,3-4,7-14H,2,5-6,15-16H2,(H,25,26,27,29)
InChIKeyWOBYRNBNEJXKLZ-UHFFFAOYSA-N
XLogP4.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135873029
5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135646531
5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630025
2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630035
[4-(2-morpholin-4-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl)phenyl] benzoate
CID 135894972
2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904323
5-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135645683
[4-[2-(4-methylpiperidin-1-yl)-4-oxo-3H-pyrido[2,3-d]pyrimidin-5-yl]phenyl] acetate
CID 135904353
2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904333
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904358
5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135994722

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135659156) is 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12.
What is the InChIKey of 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WOBYRNBNEJXKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-23-21-20(19-11-9-18(10-12-19)17-7-3-1-4-8-17)13-14-25-22(21)26-24(27-23)28-15-5-2-6-16-28/h1,3-4,7-14H,2,5-6,15-16H2,(H,25,26,27,29).
What are the key properties of 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 382.47 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135659156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).