N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

C29H33N5O2 — CID 46378529

IUPACN-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(OC)cc4)nn23)CC1
InChIInChI=1S/C29H33N5O2/c1-5-21-8-6-7-19(2)28(21)31-29(35)23-13-15-33(16-14-23)27-17-20(3)30-26-18-25(32-34(26)27)22-9-11-24(36-4)12-10-22/h6-12,17-18,23H,5,13-16H2,1-4H3,(H,31,35)
InChIKeyFJASRUXBRRAOQA-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.44
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (PubChem CID 46378529) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
PubChem CID46378529
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(OC)cc4)nn23)CC1
InChIInChI=1S/C29H33N5O2/c1-5-21-8-6-7-19(2)28(21)31-29(35)23-13-15-33(16-14-23)27-17-20(3)30-26-18-25(32-34(26)27)22-9-11-24(36-4)12-10-22/h6-12,17-18,23H,5,13-16H2,1-4H3,(H,31,35)
InChIKeyFJASRUXBRRAOQA-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
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
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
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46378530
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 50821899
1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378460
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-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 46378495
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46378480
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821845
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821798

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (CID 46378529) is N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is CCc1cccc(C)c1NC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(OC)cc4)nn23)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
The InChIKey is FJASRUXBRRAOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-5-21-8-6-7-19(2)28(21)31-29(35)23-13-15-33(16-14-23)27-17-20(3)30-26-18-25(32-34(26)27)22-9-11-24(36-4)12-10-22/h6-12,17-18,23H,5,13-16H2,1-4H3,(H,31,35).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46378529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).