(3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one

C25H26ClN3O3 — CID 126618887

IUPAC(3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one
SMILESC[C@@H](CO)CC(=O)N1CCc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1
InChIInChI=1S/C25H26ClN3O3/c1-17(15-30)12-24(31)29-11-10-23-20(14-29)13-27-25(28-23)19-4-8-22(9-5-19)32-16-18-2-6-21(26)7-3-18/h2-9,13,17,30H,10-12,14-16H2,1H3/t17-/m1/s1
InChIKeyBWWXIOJKOGCSHH-QGZVFWFLSA-N
MW451.95 g/mol
LogP4.28
Rot. Bonds7

About (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one

(3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one (PubChem CID 126618887) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one
PubChem CID126618887
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name(3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one
SMILESC[C@@H](CO)CC(=O)N1CCc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1
InChIInChI=1S/C25H26ClN3O3/c1-17(15-30)12-24(31)29-11-10-23-20(14-29)13-27-25(28-23)19-4-8-22(9-5-19)32-16-18-2-6-21(26)7-3-18/h2-9,13,17,30H,10-12,14-16H2,1H3/t17-/m1/s1
InChIKeyBWWXIOJKOGCSHH-QGZVFWFLSA-N
XLogP4.28
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl] 3-methylbutanoate
CID 126650644
4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol
CID 126618867
3-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropanoic acid
CID 126619111
2-[4-[2-(4-chlorophenyl)ethyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 175236348
3-methyl-4-[2-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid
CID 126618984
ethyl 3-methyl-4-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate
CID 126619164
tert-butyl 2-[4-[2-(4-chlorophenyl)ethyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 126618836
2-[2-[4-[(3-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetic acid
CID 126619259
4-[2-[4-[(3-fluorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid
CID 126619093
(5-bromofuran-2-yl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53146943
3-[2-[4-[(4-methylsulfanylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid
CID 126618661
ethyl 3-[2-[4-[(3-fluorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate
CID 126619181

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one?
The IUPAC name of (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one (CID 126618887) is (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one is C[C@@H](CO)CC(=O)N1CCc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1.
What is the InChIKey of (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one?
The InChIKey is BWWXIOJKOGCSHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-17(15-30)12-24(31)29-11-10-23-20(14-29)13-27-25(28-23)19-4-8-22(9-5-19)32-16-18-2-6-21(26)7-3-18/h2-9,13,17,30H,10-12,14-16H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one?
(3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one has a molecular weight of 451.95 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 126618887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).