methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate

C16H13Cl2N3O2 — CID 58182935

IUPACmethyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C)cnc12
InChIInChI=1S/C16H13Cl2N3O2/c1-9-5-13-14(19-7-9)15(16(22)23-2)20-21(13)8-10-3-4-11(17)6-12(10)18/h3-7H,8H2,1-2H3
InChIKeyVUOBRUFWJYNFGW-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.88
Rot. Bonds3

About methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate

methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 58182935) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID58182935
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Namemethyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C)cnc12
InChIInChI=1S/C16H13Cl2N3O2/c1-9-5-13-14(19-7-9)15(16(22)23-2)20-21(13)8-10-3-4-11(17)6-12(10)18/h3-7H,8H2,1-2H3
InChIKeyVUOBRUFWJYNFGW-UHFFFAOYSA-N
XLogP3.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-3-yl-1H-pyrazole-3-carboxylic acid
CID 44311709
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-ylmethyl-1H-pyrazole-3-carboxylic acid
CID 44311666
3-chloro-1-(2,6-dichlorobenzyl)-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 60152280
1-(2,6-dichlorobenzyl)-3-methyl-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68183811
1-[(2-Chloro-6-methylphenyl)methyl]-3-ethylpyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68184015
1-[(2,6-Dichlorophenyl)methyl]-3-ethylpyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68184516
Ethyl 2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137654216
Butyl 2-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137644430
Ethyl 2-(3-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137645041
Methyl 5-chloro-3-formylpyrazolo(1,5-a)pyridine-2-carboxylate
CID 165605201
Methyl 6-[(6-chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704830
ethyl 6-chloro-1-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carboxylate
CID 134225205

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate (CID 58182935) is methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate is COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C)cnc12.
What is the InChIKey of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is VUOBRUFWJYNFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-9-5-13-14(19-7-9)15(16(22)23-2)20-21(13)8-10-3-4-11(17)6-12(10)18/h3-7H,8H2,1-2H3.
What are the key properties of methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate?
methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 350.21 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-dichlorophenyl)methyl]-6-methylpyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 58182935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).