2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H27N5O — CID 135946523

IUPAC2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1cccnc1N1CCCCC1)CC2
InChIInChI=1S/C24H27N5O/c30-24-20-17-28(15-11-21(20)26-22(27-24)18-8-3-1-4-9-18)16-19-10-7-12-25-23(19)29-13-5-2-6-14-29/h1,3-4,7-10,12H,2,5-6,11,13-17H2,(H,26,27,30)
InChIKeyLBRYMUUHYNYBIH-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.38
Rot. Bonds4

About 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946523) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946523
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1cccnc1N1CCCCC1)CC2
InChIInChI=1S/C24H27N5O/c30-24-20-17-28(15-11-21(20)26-22(27-24)18-8-3-1-4-9-18)16-19-10-7-12-25-23(19)29-13-5-2-6-14-29/h1,3-4,7-10,12H,2,5-6,11,13-17H2,(H,26,27,30)
InChIKeyLBRYMUUHYNYBIH-UHFFFAOYSA-N
XLogP3.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946537
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816
6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946522
6-[(2-ethylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917731
6-[(2-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944567
2-(4-aminophenyl)-6-[(2-bromo-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946113
2-phenyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920104
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944103
6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
6-[(2-bromophenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917395
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
6-[(2,4-dichlorophenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916891

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946523) is 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1cccnc1N1CCCCC1)CC2.
What is the InChIKey of 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LBRYMUUHYNYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24-20-17-28(15-11-21(20)26-22(27-24)18-8-3-1-4-9-18)16-19-10-7-12-25-23(19)29-13-5-2-6-14-29/h1,3-4,7-10,12H,2,5-6,11,13-17H2,(H,26,27,30).
What are the key properties of 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 401.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).