6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H22ClN3O3 — CID 162443799

IUPAC6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(c1ccccc1)c1nc2c(c(=O)[nH]1)CN(C(=O)[C@H](O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C23H22ClN3O3/c1-14(15-6-3-2-4-7-15)21-25-19-10-11-27(13-18(19)22(29)26-21)23(30)20(28)16-8-5-9-17(24)12-16/h2-9,12,14,20,28H,10-11,13H2,1H3,(H,25,26,29)/t14?,20-/m1/s1
InChIKeyTZYGUGLDPVEDOE-YBMSBYLISA-N
MW423.90 g/mol
LogP3.19
Rot. Bonds4

About 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 162443799) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID162443799
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(c1ccccc1)c1nc2c(c(=O)[nH]1)CN(C(=O)[C@H](O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C23H22ClN3O3/c1-14(15-6-3-2-4-7-15)21-25-19-10-11-27(13-18(19)22(29)26-21)23(30)20(28)16-8-5-9-17(24)12-16/h2-9,12,14,20,28H,10-11,13H2,1H3,(H,25,26,29)/t14?,20-/m1/s1
InChIKeyTZYGUGLDPVEDOE-YBMSBYLISA-N
XLogP3.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[1-(3-bromophenyl)cyclopropyl]-6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028001
6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027496
6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(3-cyclopentylphenyl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157028279
2-[1-(3-bromophenyl)cyclopropyl]-6-[2-(3-chlorophenyl)-2-hydroxyacetyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 175367292
6-[2-[5-(3-chlorophenyl)-3-pyridinyl]-2-hydroxyacetyl]-2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027305
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-[(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
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-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157028181
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-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027889

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 162443799) is 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(c1ccccc1)c1nc2c(c(=O)[nH]1)CN(C(=O)[C@H](O)c1cccc(Cl)c1)CC2.
What is the InChIKey of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is TZYGUGLDPVEDOE-YBMSBYLISA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-14(15-6-3-2-4-7-15)21-25-19-10-11-27(13-18(19)22(29)26-21)23(30)20(28)16-8-5-9-17(24)12-16/h2-9,12,14,20,28H,10-11,13H2,1H3,(H,25,26,29)/t14?,20-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 423.90 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-(1-phenylethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 162443799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).