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

C29H33N5O2 — CID 46378530

IUPAC1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccc(C(C)C)cc5)CC4)n3n2)cc1
InChIInChI=1S/C29H33N5O2/c1-19(2)21-5-9-24(10-6-21)31-29(35)23-13-15-33(16-14-23)28-17-20(3)30-27-18-26(32-34(27)28)22-7-11-25(36-4)12-8-22/h5-12,17-19,23H,13-16H2,1-4H3,(H,31,35)
InChIKeyOQJCRNNEMKCAOG-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.69
Rot. Bonds6

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

1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 46378530) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID46378530
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccc(C(C)C)cc5)CC4)n3n2)cc1
InChIInChI=1S/C29H33N5O2/c1-19(2)21-5-9-24(10-6-21)31-29(35)23-13-15-33(16-14-23)28-17-20(3)30-27-18-26(32-34(27)28)22-7-11-25(36-4)12-8-22/h5-12,17-19,23H,13-16H2,1-4H3,(H,31,35)
InChIKeyOQJCRNNEMKCAOG-UHFFFAOYSA-N
XLogP5.69
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methylphenyl)piperidine-4-carboxamide
CID 50821742
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46378480
N-(3-chloro-2-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378519
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
N-(3,4-dimethylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378447
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378529
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460
N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378548
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-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50821797
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 50821899

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 46378530) is 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)Nc5ccc(C(C)C)cc5)CC4)n3n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is OQJCRNNEMKCAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-19(2)21-5-9-24(10-6-21)31-29(35)23-13-15-33(16-14-23)28-17-20(3)30-27-18-26(32-34(27)28)22-7-11-25(36-4)12-8-22/h5-12,17-19,23H,13-16H2,1-4H3,(H,31,35).
What are the key properties of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46378530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).