1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid

C20H17ClN4O3 — CID 72950767

IUPAC1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc3cc(Cl)cc(Cn4nc(C(=O)O)cc4C)n3n2)c1
InChIInChI=1S/C20H17ClN4O3/c1-12-6-19(20(26)27)22-24(12)11-16-9-14(21)8-15-10-18(23-25(15)16)13-4-3-5-17(7-13)28-2/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyVHHVQHFVZFIJNQ-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.91
Rot. Bonds5

About 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid

1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 72950767) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID72950767
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc3cc(Cl)cc(Cn4nc(C(=O)O)cc4C)n3n2)c1
InChIInChI=1S/C20H17ClN4O3/c1-12-6-19(20(26)27)22-24(12)11-16-9-14(21)8-15-10-18(23-25(15)16)13-4-3-5-17(7-13)28-2/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyVHHVQHFVZFIJNQ-UHFFFAOYSA-N
XLogP3.91
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 72722417
5-Methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
CID 72950439
1-[(5-Chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 72950602
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid
CID 72950605
6-[[6-Chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123512315
1-[[5-Chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137632486
1-[[5-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137634540
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-ethylpyrazole-3-carboxylic acid
CID 137638600
1-[[5-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137642144
1-[[5-Chloro-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137643688
1-[[5-Chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 137645257
1-[(5-Ethenyl-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 137652966

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid (CID 72950767) is 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid is COc1cccc(-c2cc3cc(Cl)cc(Cn4nc(C(=O)O)cc4C)n3n2)c1.
What is the InChIKey of 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is VHHVQHFVZFIJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-12-6-19(20(26)27)22-24(12)11-16-9-14(21)8-15-10-18(23-25(15)16)13-4-3-5-17(7-13)28-2/h3-10H,11H2,1-2H3,(H,26,27).
What are the key properties of 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid?
1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 396.83 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 72950767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).