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

C25H30N6O — CID 92629195

IUPAC2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1
InChIInChI=1S/C25H30N6O/c1-18-21-7-8-23(32)31(16-9-19-5-3-2-4-6-19)25(21)29-24(28-18)20-10-14-30(15-11-20)17-22-26-12-13-27-22/h2-6,12-13,20H,7-11,14-17H2,1H3,(H,26,27)
InChIKeyQTNCRFHZYFUODR-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.41
Rot. Bonds6

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

2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629195) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629195
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1
InChIInChI=1S/C25H30N6O/c1-18-21-7-8-23(32)31(16-9-19-5-3-2-4-6-19)25(21)29-24(28-18)20-10-14-30(15-11-20)17-22-26-12-13-27-22/h2-6,12-13,20H,7-11,14-17H2,1H3,(H,26,27)
InChIKeyQTNCRFHZYFUODR-UHFFFAOYSA-N
XLogP3.41
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1.
What is the InChIKey of 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QTNCRFHZYFUODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-18-21-7-8-23(32)31(16-9-19-5-3-2-4-6-19)25(21)29-24(28-18)20-10-14-30(15-11-20)17-22-26-12-13-27-22/h2-6,12-13,20H,7-11,14-17H2,1H3,(H,26,27).
What are the key properties of 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 430.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).