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

C29H33N5O — CID 50821880

IUPACN-(2,5-dimethylphenyl)-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)Nc5cc(C)ccc5C)CC4)n3n2)c1
InChIInChI=1S/C29H33N5O/c1-18-6-7-21(4)25(15-18)31-29(35)23-8-10-33(11-9-23)28-16-22(5)30-27-17-26(32-34(27)28)24-13-19(2)12-20(3)14-24/h6-7,12-17,23H,8-11H2,1-5H3,(H,31,35)
InChIKeyBOLVPZNNHGAZAE-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.79
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (PubChem CID 50821880) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
PubChem CID50821880
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC NameN-(2,5-dimethylphenyl)-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)Nc5cc(C)ccc5C)CC4)n3n2)c1
InChIInChI=1S/C29H33N5O/c1-18-6-7-21(4)25(15-18)31-29(35)23-8-10-33(11-9-23)28-16-22(5)30-27-17-26(32-34(27)28)24-13-19(2)12-20(3)14-24/h6-7,12-17,23H,8-11H2,1-5H3,(H,31,35)
InChIKeyBOLVPZNNHGAZAE-UHFFFAOYSA-N
XLogP5.79
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821742
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50822081
N-(3,4-dimethylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378447
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821798
N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378544
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460
N-(3-chloro-2-methylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378443
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821900
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378549
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378505
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 50822008

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (CID 50821880) is N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-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)Nc5cc(C)ccc5C)CC4)n3n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The InChIKey is BOLVPZNNHGAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-18-6-7-21(4)25(15-18)31-29(35)23-8-10-33(11-9-23)28-16-22(5)30-27-17-26(32-34(27)28)24-13-19(2)12-20(3)14-24/h6-7,12-17,23H,8-11H2,1-5H3,(H,31,35).
What are the key properties of N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50821880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).