N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

C29H33N5O — CID 50797333

IUPACN-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(C)c(C)c5)cc34)CC2)cc1C
InChIInChI=1S/C29H33N5O/c1-19-5-7-23(15-21(19)3)18-31-29(35)24-9-12-33(13-10-24)28-27-17-26(32-34(27)14-11-30-28)25-8-6-20(2)22(4)16-25/h5-8,11,14-17,24H,9-10,12-13,18H2,1-4H3,(H,31,35)
InChIKeyMTQXCHHDFUJGJJ-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.16
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (PubChem CID 50797333) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
PubChem CID50797333
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(C)c(C)c5)cc34)CC2)cc1C
InChIInChI=1S/C29H33N5O/c1-19-5-7-23(15-21(19)3)18-31-29(35)24-9-12-33(13-10-24)28-27-17-26(32-34(27)14-11-30-28)25-8-6-20(2)22(4)16-25/h5-8,11,14-17,24H,9-10,12-13,18H2,1-4H3,(H,31,35)
InChIKeyMTQXCHHDFUJGJJ-UHFFFAOYSA-N
XLogP5.16
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50796512
(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892016
1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 50797076
N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797416
1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 50797278
N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797420
1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20962102
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92892068
(3S)-N-[(4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073624
N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 53086068
N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797385
1-imidazo[1,5-a]pyrazin-8-yl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 154780715

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (CID 50797333) is N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccc(C)c(C)c5)cc34)CC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The InChIKey is MTQXCHHDFUJGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-19-5-7-23(15-21(19)3)18-31-29(35)24-9-12-33(13-10-24)28-27-17-26(32-34(27)14-11-30-28)25-8-6-20(2)22(4)16-25/h5-8,11,14-17,24H,9-10,12-13,18H2,1-4H3,(H,31,35).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50797333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).