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

C28H31N5O — CID 95073700

IUPAC(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NCCc5ccccc5)C4)nccn3n2)c(C)c1
InChIInChI=1S/C28H31N5O/c1-20-10-11-24(21(2)17-20)25-18-26-27(29-14-16-33(26)31-25)32-15-6-9-23(19-32)28(34)30-13-12-22-7-4-3-5-8-22/h3-5,7-8,10-11,14,16-18,23H,6,9,12-13,15,19H2,1-2H3,(H,30,34)/t23-/m1/s1
InChIKeyCBWYAEBYJPWABF-HSZRJFAPSA-N
MW453.59 g/mol
LogP4.59
Rot. Bonds6

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

(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 95073700) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID95073700
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NCCc5ccccc5)C4)nccn3n2)c(C)c1
InChIInChI=1S/C28H31N5O/c1-20-10-11-24(21(2)17-20)25-18-26-27(29-14-16-33(26)31-25)32-15-6-9-23(19-32)28(34)30-13-12-22-7-4-3-5-8-22/h3-5,7-8,10-11,14,16-18,23H,6,9,12-13,15,19H2,1-2H3,(H,30,34)/t23-/m1/s1
InChIKeyCBWYAEBYJPWABF-HSZRJFAPSA-N
XLogP4.59
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
CID 92892149
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95073786
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 53085986
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
(3S)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95073695
(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-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50796512
(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073731
(3S)-N-butyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073730
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073691
1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 53086065
N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 53086050

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 95073700) is (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NCCc5ccccc5)C4)nccn3n2)c(C)c1.
What is the InChIKey of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is CBWYAEBYJPWABF-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H31N5O/c1-20-10-11-24(21(2)17-20)25-18-26-27(29-14-16-33(26)31-25)32-15-6-9-23(19-32)28(34)30-13-12-22-7-4-3-5-8-22/h3-5,7-8,10-11,14,16-18,23H,6,9,12-13,15,19H2,1-2H3,(H,30,34)/t23-/m1/s1.
What are the key properties of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95073700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).