(4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one

C18H17ClN4O3 — CID 136697903

IUPAC(4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one
SMILESCc1noc2c1[C@@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C18H17ClN4O3/c1-9-16(13-8-14(24)20-17-15(13)10(2)22-26-17)18(23(3)21-9)25-12-6-4-11(19)5-7-12/h4-7,13H,8H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyVTFXUOSPQZFYIP-ZDUSSCGKSA-N
MW372.81 g/mol
LogP3.94
Rot. Bonds3

About (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one

(4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one (PubChem CID 136697903) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one
PubChem CID136697903
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name(4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one
SMILESCc1noc2c1[C@@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C18H17ClN4O3/c1-9-16(13-8-14(24)20-17-15(13)10(2)22-26-17)18(23(3)21-9)25-12-6-4-11(19)5-7-12/h4-7,13H,8H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyVTFXUOSPQZFYIP-ZDUSSCGKSA-N
XLogP3.94
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-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

(4S)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 95130650
4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one
CID 139236460
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826052
(4R)-1,3-dimethyl-4-(4-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826093
5-(4-chlorophenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63750938
(4S)-4-(4-cyclopentyloxyphenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826138
7-(4-chlorophenyl)-4-(4-ethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135910955
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
1,3-dimethyl-4-[4-(4-methylphenoxy)phenyl]-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136640049
N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 54541897
1-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135529902
6-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-dimethyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135719473

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one (CID 136697903) is (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one is Cc1noc2c1[C@@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)CC(=O)N2.
What is the InChIKey of (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The InChIKey is VTFXUOSPQZFYIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-9-16(13-8-14(24)20-17-15(13)10(2)22-26-17)18(23(3)21-9)25-12-6-4-11(19)5-7-12/h4-7,13H,8H2,1-3H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
(4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one has a molecular weight of 372.81 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136697903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).