6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H27N3O4 — CID 157027903

IUPAC6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1OCC(O)C(=O)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C26H27N3O4/c1-17-7-5-6-10-22(17)33-16-21(30)24(32)29-14-11-20-19(15-29)23(31)28-25(27-20)26(12-13-26)18-8-3-2-4-9-18/h2-10,21,30H,11-16H2,1H3,(H,27,28,31)
InChIKeyOVVRGBUGFGDUSE-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.48
Rot. Bonds6

About 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 157027903) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID157027903
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1OCC(O)C(=O)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C26H27N3O4/c1-17-7-5-6-10-22(17)33-16-21(30)24(32)29-14-11-20-19(15-29)23(31)28-25(27-20)26(12-13-26)18-8-3-2-4-9-18/h2-10,21,30H,11-16H2,1H3,(H,27,28,31)
InChIKeyOVVRGBUGFGDUSE-UHFFFAOYSA-N
XLogP2.48
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenylcyclopropyl)-6-[(2R)-2-phenylpropanoyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027437
6-[2-(4-fluorophenyl)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027944
6-[2-(6-chloro-2-pyridinyl)-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028229
3-[1-hydroxy-2-oxo-2-[4-oxo-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]ethyl]benzonitrile
CID 157028112
6-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-2-[1-(4-fluorophenyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027665
6-[(2R)-2-hydroxy-2-[3-(3-propan-2-yloxyphenyl)phenyl]acetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027514
6-[(2R)-2-(3-bromophenyl)-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027527
6-[2-[3-[4-(difluoromethyl)phenyl]phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027858
6-[2-[3-(2,5-difluorophenyl)phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027380
6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(4-phenylphenyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028093
6-[2-hydroxy-2-[3-[3-(trifluoromethylsulfanyl)phenyl]phenyl]acetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028090
6-[2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027916

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 157027903) is 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccccc1OCC(O)C(=O)N1CCc2nc(C3(c4ccccc4)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OVVRGBUGFGDUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17-7-5-6-10-22(17)33-16-21(30)24(32)29-14-11-20-19(15-29)23(31)28-25(27-20)26(12-13-26)18-8-3-2-4-9-18/h2-10,21,30H,11-16H2,1H3,(H,27,28,31).
What are the key properties of 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 445.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 157027903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).