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

C19H15ClN4O2 — CID 72722417

IUPAC1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H15ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26)
InChIKeyXEFFAIIXHQWESO-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.91
Rot. Bonds4

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

1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 72722417) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID72722417
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H15ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26)
InChIKeyXEFFAIIXHQWESO-UHFFFAOYSA-N
XLogP3.91
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid (CID 72722417) is 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12.
What is the InChIKey of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is XEFFAIIXHQWESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26).
What are the key properties of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 366.81 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 72722417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).