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

C27H28ClN5O — CID 50797385

IUPACN-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5Cl)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C27H28ClN5O/c1-18-7-8-22(19(2)15-18)24-16-25-26(29-11-14-33(25)31-24)32-12-9-20(10-13-32)27(34)30-17-21-5-3-4-6-23(21)28/h3-8,11,14-16,20H,9-10,12-13,17H2,1-2H3,(H,30,34)
InChIKeyHBFRIUUKBGEKTC-UHFFFAOYSA-N
MW474.01 g/mol
LogP5.20
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (PubChem CID 50797385) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
PubChem CID50797385
Molecular FormulaC27H28ClN5O
Molecular Weight474.01 g/mol
Exact Mass473.20
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5Cl)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C27H28ClN5O/c1-18-7-8-22(19(2)15-18)24-16-25-26(29-11-14-33(25)31-24)32-12-9-20(10-13-32)27(34)30-17-21-5-3-4-6-23(21)28/h3-8,11,14-16,20H,9-10,12-13,17H2,1-2H3,(H,30,34)
InChIKeyHBFRIUUKBGEKTC-UHFFFAOYSA-N
XLogP5.20
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 53086050
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073691
N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 53086071
4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333647
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073700
(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073731
(3R)-N-[(2-chlorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892131
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
CID 92892149
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
(3S)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95073695
1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 50797440

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (CID 50797385) is N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is Cc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5Cl)CC4)nccn3n2)c(C)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The InChIKey is HBFRIUUKBGEKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-18-7-8-22(19(2)15-18)24-16-25-26(29-11-14-33(25)31-24)32-12-9-20(10-13-32)27(34)30-17-21-5-3-4-6-23(21)28/h3-8,11,14-16,20H,9-10,12-13,17H2,1-2H3,(H,30,34).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide has a molecular weight of 474.01 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50797385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).