4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine

C54H54ClN13O — CID 158922501

IUPAC4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine
SMILESCOc1cccc(-c2nccnc2C)c1.Cc1ccc(-n2cccn2)c(C)n1.Cc1ccc(-n2nccn2)c(C)n1.Cc1cccnc1-c1ccccn1.Cc1ncc(C)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2.C12H12N2O.C11H10N2.C10H11N3.C9H10N4/c1-8-7-14-9(2)15-12(8)10-4-3-5-11(13)6-10;1-9-12(14-7-6-13-9)10-4-3-5-11(8-10)15-2;1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;1-8-4-5-10(9(2)12-8)13-7-3-6-11-13;1-7-3-4-9(8(2)12-7)13-10-5-6-11-13/h3-7H,1-2H3;3-8H,1-2H3;2-8H,1H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyJHZZAPJPRYJKRM-UHFFFAOYSA-N
MW936.57 g/mol
LogP11.49
Rot. Bonds6

About 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine

4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine (PubChem CID 158922501) has the molecular formula C54H54ClN13O and a molecular weight of 936.57 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine
PubChem CID158922501
Molecular FormulaC54H54ClN13O
Molecular Weight936.57 g/mol
Exact Mass935.43
IUPAC Name4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine
SMILESCOc1cccc(-c2nccnc2C)c1.Cc1ccc(-n2cccn2)c(C)n1.Cc1ccc(-n2nccn2)c(C)n1.Cc1cccnc1-c1ccccn1.Cc1ncc(C)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2.C12H12N2O.C11H10N2.C10H11N3.C9H10N4/c1-8-7-14-9(2)15-12(8)10-4-3-5-11(13)6-10;1-9-12(14-7-6-13-9)10-4-3-5-11(8-10)15-2;1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;1-8-4-5-10(9(2)12-8)13-7-3-6-11-13;1-7-3-4-9(8(2)12-7)13-10-5-6-11-13/h3-7H,1-2H3;3-8H,1-2H3;2-8H,1H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyJHZZAPJPRYJKRM-UHFFFAOYSA-N
XLogP11.49
TPSA160.88 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.57
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine with MolForge

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Related Compounds

3-(4-Chloro-3-methoxyphenyl)-7-(4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226448
3-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137039062
US11214563, Example 46
CID 155387057
1-[1-(6-Chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164520934
US10023570, Example 742
CID 124199828
WO2022090481, Example I-204
CID 164514245
1-(4-Chlorophenyl)-4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)pyrazole
CID 168286377
5-[2-Chloro-6-(4-methoxy-2-trifluoromethyl-phenyl)-pyridin-3-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine
CID 44217890
7-(3-Chloro-4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58375653
7-(3-Chloro-4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58375719
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyrimidin-4-yl)-2-(4-methoxybenzyl)-2H-pyrazolo[4,3-b]pyridin-7-amine
CID 67469566
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyrimidin-4-yl)-1-(4-methoxybenzyl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 67470498

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine?
The IUPAC name of 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine (CID 158922501) is 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine?
The canonical SMILES for 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine is COc1cccc(-c2nccnc2C)c1.Cc1ccc(-n2cccn2)c(C)n1.Cc1ccc(-n2nccn2)c(C)n1.Cc1cccnc1-c1ccccn1.Cc1ncc(C)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine?
The InChIKey is JHZZAPJPRYJKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.C12H12N2O.C11H10N2.C10H11N3.C9H10N4/c1-8-7-14-9(2)15-12(8)10-4-3-5-11(13)6-10;1-9-12(14-7-6-13-9)10-4-3-5-11(8-10)15-2;1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;1-8-4-5-10(9(2)12-8)13-7-3-6-11-13;1-7-3-4-9(8(2)12-7)13-10-5-6-11-13/h3-7H,1-2H3;3-8H,1-2H3;2-8H,1H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine?
4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine has a molecular weight of 936.57 g/mol, XLogP of 11.49, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2,5-dimethylpyrimidine;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(3-methoxyphenyl)-3-methylpyrazine;3-methyl-2-pyridin-2-ylpyridine is sourced from PubChem (CID 158922501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).