7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C22H20N4O2 — CID 15958130

IUPAC7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3cnc4ccccc4c3)cnc12
InChIInChI=1S/C22H20N4O2/c27-22(28)18-13-25-26-20(14-6-2-1-3-7-14)17(12-24-21(18)26)16-10-15-8-4-5-9-19(15)23-11-16/h4-5,8-14H,1-3,6-7H2,(H,27,28)
InChIKeyGEVZTWCDMOTVQK-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.69
Rot. Bonds3

About 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958130) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958130
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3cnc4ccccc4c3)cnc12
InChIInChI=1S/C22H20N4O2/c27-22(28)18-13-25-26-20(14-6-2-1-3-7-14)17(12-24-21(18)26)16-10-15-8-4-5-9-19(15)23-11-16/h4-5,8-14H,1-3,6-7H2,(H,27,28)
InChIKeyGEVZTWCDMOTVQK-UHFFFAOYSA-N
XLogP4.69
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958130) is 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C3CCCCC3)c(-c3cnc4ccccc4c3)cnc12.
What is the InChIKey of 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GEVZTWCDMOTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22(28)18-13-25-26-20(14-6-2-1-3-7-14)17(12-24-21(18)26)16-10-15-8-4-5-9-19(15)23-11-16/h4-5,8-14H,1-3,6-7H2,(H,27,28).
What are the key properties of 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).