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

C28H31N5O2 — CID 50821798

IUPAC1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2cc(C)nc3cc(-c4cc(C)cc(C)c4)nn23)CC1
InChIInChI=1S/C28H31N5O2/c1-18-13-19(2)15-22(14-18)24-17-26-29-20(3)16-27(33(26)31-24)32-11-9-21(10-12-32)28(34)30-23-7-5-6-8-25(23)35-4/h5-8,13-17,21H,9-12H2,1-4H3,(H,30,34)
InChIKeyNKNXNSBYEONKLL-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.19
Rot. Bonds5

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

1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 50821798) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID50821798
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2cc(C)nc3cc(-c4cc(C)cc(C)c4)nn23)CC1
InChIInChI=1S/C28H31N5O2/c1-18-13-19(2)15-22(14-18)24-17-26-29-20(3)16-27(33(26)31-24)32-11-9-21(10-12-32)28(34)30-23-7-5-6-8-25(23)35-4/h5-8,13-17,21H,9-12H2,1-4H3,(H,30,34)
InChIKeyNKNXNSBYEONKLL-UHFFFAOYSA-N
XLogP5.19
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821845
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50822081
N-(2,5-dimethylphenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821880
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821742
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378549
N-(3-chloro-2-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378519
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-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50821797
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 50821798) is 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(c2cc(C)nc3cc(-c4cc(C)cc(C)c4)nn23)CC1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is NKNXNSBYEONKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-18-13-19(2)15-22(14-18)24-17-26-29-20(3)16-27(33(26)31-24)32-11-9-21(10-12-32)28(34)30-23-7-5-6-8-25(23)35-4/h5-8,13-17,21H,9-12H2,1-4H3,(H,30,34).
What are the key properties of 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50821798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).