1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid

C24H27ClN4O2 — CID 146424058

IUPAC1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid
SMILESCc1nc2cc(-c3ccc(Cl)cc3)nn2c(N2CCCC(C(=O)O)C2)c1C1CCCC1
InChIInChI=1S/C24H27ClN4O2/c1-15-22(17-5-2-3-6-17)23(28-12-4-7-18(14-28)24(30)31)29-21(26-15)13-20(27-29)16-8-10-19(25)11-9-16/h8-11,13,17-18H,2-7,12,14H2,1H3,(H,30,31)
InChIKeyOPNKKHRNPSKUDV-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.32
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid

1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid (PubChem CID 146424058) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid
PubChem CID146424058
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid
SMILESCc1nc2cc(-c3ccc(Cl)cc3)nn2c(N2CCCC(C(=O)O)C2)c1C1CCCC1
InChIInChI=1S/C24H27ClN4O2/c1-15-22(17-5-2-3-6-17)23(28-12-4-7-18(14-28)24(30)31)29-21(26-15)13-20(27-29)16-8-10-19(25)11-9-16/h8-11,13,17-18H,2-7,12,14H2,1H3,(H,30,31)
InChIKeyOPNKKHRNPSKUDV-UHFFFAOYSA-N
XLogP5.32
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid (CID 146424058) is 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid is Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(N2CCCC(C(=O)O)C2)c1C1CCCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid?
The InChIKey is OPNKKHRNPSKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-15-22(17-5-2-3-6-17)23(28-12-4-7-18(14-28)24(30)31)29-21(26-15)13-20(27-29)16-8-10-19(25)11-9-16/h8-11,13,17-18H,2-7,12,14H2,1H3,(H,30,31).
What are the key properties of 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid?
1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid has a molecular weight of 438.96 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-6-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 146424058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).