6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H23F2N3O3 — CID 157027889

IUPAC6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(c1ccccc1)c1nc2c(c(=O)[nH]1)CN(C(=O)C(O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C24H23F2N3O3/c1-24(2,15-6-4-3-5-7-15)23-27-19-8-9-29(13-18(19)21(31)28-23)22(32)20(30)14-10-16(25)12-17(26)11-14/h3-7,10-12,20,30H,8-9,13H2,1-2H3,(H,27,28,31)
InChIKeyFHEFVGQPLBSHHW-UHFFFAOYSA-N
MW439.46 g/mol
LogP2.99
Rot. Bonds4

About 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 157027889) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID157027889
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(c1ccccc1)c1nc2c(c(=O)[nH]1)CN(C(=O)C(O)c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C24H23F2N3O3/c1-24(2,15-6-4-3-5-7-15)23-27-19-8-9-29(13-18(19)21(31)28-23)22(32)20(30)14-10-16(25)12-17(26)11-14/h3-7,10-12,20,30H,8-9,13H2,1-2H3,(H,27,28,31)
InChIKeyFHEFVGQPLBSHHW-UHFFFAOYSA-N
XLogP2.99
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 162443799
2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135969124
6-[(2R)-2-[3-(3-chloro-5-fluorophenyl)phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028070
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
6-[(2S)-2-[3-(3-fluorophenyl)phenyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027929
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-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-2-[1-(3-fluorophenyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027435
6-[2-(4-fluorophenyl)propanoyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027944
6-(3,5-difluorobenzoyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058255
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
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-[2-hydroxy-2-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]phenyl]acetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028150

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 157027889) is 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)(c1ccccc1)c1nc2c(c(=O)[nH]1)CN(C(=O)C(O)c1cc(F)cc(F)c1)CC2.
What is the InChIKey of 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FHEFVGQPLBSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-24(2,15-6-4-3-5-7-15)23-27-19-8-9-29(13-18(19)21(31)28-23)22(32)20(30)14-10-16(25)12-17(26)11-14/h3-7,10-12,20,30H,8-9,13H2,1-2H3,(H,27,28,31).
What are the key properties of 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 439.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 157027889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).