4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H28N6O2 — CID 92621325

IUPAC4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1
InChIInChI=1S/C25H28N6O2/c1-17-20-7-8-22(32)31(16-10-18-5-3-2-4-6-18)24(20)28-23(27-17)19-11-14-30(15-12-19)25(33)21-9-13-26-29-21/h2-6,9,13,19H,7-8,10-12,14-16H2,1H3,(H,26,29)
InChIKeyUIBLBIAMHXLKMQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.05
Rot. Bonds5

About 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92621325) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92621325
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1
InChIInChI=1S/C25H28N6O2/c1-17-20-7-8-22(32)31(16-10-18-5-3-2-4-6-18)24(20)28-23(27-17)19-11-14-30(15-12-19)25(33)21-9-13-26-29-21/h2-6,9,13,19H,7-8,10-12,14-16H2,1H3,(H,26,29)
InChIKeyUIBLBIAMHXLKMQ-UHFFFAOYSA-N
XLogP3.05
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629649
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
8-(cyclohexylmethyl)-4-methyl-2-[(3S)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124978079
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
4-methyl-7-(2-phenylethyl)-2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95840103
[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 92623082
4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260833
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249292
2-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629265
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92621325) is 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1.
What is the InChIKey of 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UIBLBIAMHXLKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-17-20-7-8-22(32)31(16-10-18-5-3-2-4-6-18)24(20)28-23(27-17)19-11-14-30(15-12-19)25(33)21-9-13-26-29-21/h2-6,9,13,19H,7-8,10-12,14-16H2,1H3,(H,26,29).
What are the key properties of 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 444.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92621325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).