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N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

C27H28ClN5O — CID 50822081

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccccc5Cl)CC4)n3n2)c1
InChIInChI=1S/C27H28ClN5O/c1-17-12-18(2)14-21(13-17)24-16-25-29-19(3)15-26(33(25)31-24)32-10-8-20(9-11-32)27(34)30-23-7-5-4-6-22(23)28/h4-7,12-16,20H,8-11H2,1-3H3,(H,30,34)
InChIKeySVSZVUFOYIPIQG-UHFFFAOYSA-N
MW474.01 g/mol
LogP5.83
Rot. Bonds4

About N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (PubChem CID 50822081) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
PubChem CID50822081
Molecular FormulaC27H28ClN5O
Molecular Weight474.01 g/mol
Exact Mass473.20
IUPAC NameN-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccccc5Cl)CC4)n3n2)c1
InChIInChI=1S/C27H28ClN5O/c1-17-12-18(2)14-21(13-17)24-16-25-29-19(3)15-26(33(25)31-24)32-10-8-20(9-11-32)27(34)30-23-7-5-4-6-22(23)28/h4-7,12-16,20H,8-11H2,1-3H3,(H,30,34)
InChIKeySVSZVUFOYIPIQG-UHFFFAOYSA-N
XLogP5.83
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (CID 50822081) is N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is Cc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccccc5Cl)CC4)n3n2)c1.
What is the InChIKey of N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The InChIKey is SVSZVUFOYIPIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-17-12-18(2)14-21(13-17)24-16-25-29-19(3)15-26(33(25)31-24)32-10-8-20(9-11-32)27(34)30-23-7-5-4-6-22(23)28/h4-7,12-16,20H,8-11H2,1-3H3,(H,30,34).
What are the key properties of N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide has a molecular weight of 474.01 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50822081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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