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

C19H21ClN4O2 — CID 72950602

IUPAC1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCCC3)nn12
InChIInChI=1S/C19H21ClN4O2/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/h7-10,13H,2-6,11H2,1H3,(H,25,26)
InChIKeyWXJYXCBOQAHSHU-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.29
Rot. Bonds4

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

1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 72950602) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID72950602
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCCC3)nn12
InChIInChI=1S/C19H21ClN4O2/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/h7-10,13H,2-6,11H2,1H3,(H,25,26)
InChIKeyWXJYXCBOQAHSHU-UHFFFAOYSA-N
XLogP4.29
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.29
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-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid (CID 72950602) is 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-cyclohexylpyrazolo[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-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is WXJYXCBOQAHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/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/h7-10,13H,2-6,11H2,1H3,(H,25,26).
What are the key properties of 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 372.86 g/mol, XLogP of 4.29, 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-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 72950602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).