1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one

C27H25ClN4O2 — CID 20951926

IUPAC1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5cccc(Cl)c5C)c43)c(C)o2)cc1
InChIInChI=1S/C27H25ClN4O2/c1-15-9-11-20(12-10-15)26-29-22(19(5)34-26)14-31-24(33)13-16(2)25-18(4)30-32(27(25)31)23-8-6-7-21(28)17(23)3/h6-13H,14H2,1-5H3
InChIKeyWWFSFOUCNQVFPD-UHFFFAOYSA-N
MW472.98 g/mol
LogP6.09
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one

1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20951926) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
PubChem CID20951926
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5cccc(Cl)c5C)c43)c(C)o2)cc1
InChIInChI=1S/C27H25ClN4O2/c1-15-9-11-20(12-10-15)26-29-22(19(5)34-26)14-31-24(33)13-16(2)25-18(4)30-32(27(25)31)23-8-6-7-21(28)17(23)3/h6-13H,14H2,1-5H3
InChIKeyWWFSFOUCNQVFPD-UHFFFAOYSA-N
XLogP6.09
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
CID 20951921
7-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951863
1-(4-ethylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
CID 20951897
2-[[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53299034
7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 20951786
1,3-dimethyl-7-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951937
7-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
CID 20951727
N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944100
7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951849
7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951873
N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 46277613
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(furan-2-ylmethyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 25238646

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one (CID 20951926) is 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-c2nc(Cn3c(=O)cc(C)c4c(C)nn(-c5cccc(Cl)c5C)c43)c(C)o2)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WWFSFOUCNQVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-15-9-11-20(12-10-15)26-29-22(19(5)34-26)14-31-24(33)13-16(2)25-18(4)30-32(27(25)31)23-8-6-7-21(28)17(23)3/h6-13H,14H2,1-5H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one?
1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 472.98 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20951926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).