5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C22H19ClN6O2 — CID 10252390

IUPAC5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(N3CCN(c4ccccn4)CC3)n2n1
InChIInChI=1S/C22H19ClN6O2/c23-16-6-4-15(5-7-16)17-14-21(29-20(25-17)13-18(26-29)22(30)31)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13-14H,9-12H2,(H,30,31)
InChIKeyURNFNAVWCCGCCS-UHFFFAOYSA-N
MW434.89 g/mol
LogP3.47
Rot. Bonds4

About 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 10252390) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID10252390
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(N3CCN(c4ccccn4)CC3)n2n1
InChIInChI=1S/C22H19ClN6O2/c23-16-6-4-15(5-7-16)17-14-21(29-20(25-17)13-18(26-29)22(30)31)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13-14H,9-12H2,(H,30,31)
InChIKeyURNFNAVWCCGCCS-UHFFFAOYSA-N
XLogP3.47
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Chlorophenyl)-7-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5308312
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
6-[(6-Chloro-2-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151421
2-[(E)-2-(6-chloro-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-4-carboxylic acid
CID 121596879
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-pyridin-4-ylmethanone
CID 44630540
1-[(6-Chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 57399015
6-(3-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600116
6-(4-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600117
6-(6-Chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600939
6-[6-(6-Chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600940
1-(Pyridin-4-ylmethyl)-6-pyrimidin-5-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601061

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 10252390) is 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(N3CCN(c4ccccn4)CC3)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is URNFNAVWCCGCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c23-16-6-4-15(5-7-16)17-14-21(29-20(25-17)13-18(26-29)22(30)31)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13-14H,9-12H2,(H,30,31).
What are the key properties of 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 434.89 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 10252390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).