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

C29H33N5O3 — CID 50797076

IUPAC1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1OCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(C)c(C)c4)cc23)CC1
InChIInChI=1S/C29H33N5O3/c1-20-8-9-23(18-21(20)2)24-19-25-28(30-12-16-34(25)32-24)33-14-10-22(11-15-33)29(35)31-13-17-37-27-7-5-4-6-26(27)36-3/h4-9,12,16,18-19,22H,10-11,13-15,17H2,1-3H3,(H,31,35)
InChIKeyKGYOXTZDIXBEIN-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.43
Rot. Bonds8

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

1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 50797076) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID50797076
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
SMILESCOc1ccccc1OCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(C)c(C)c4)cc23)CC1
InChIInChI=1S/C29H33N5O3/c1-20-8-9-23(18-21(20)2)24-19-25-28(30-12-16-34(25)32-24)33-14-10-22(11-15-33)29(35)31-13-17-37-27-7-5-4-6-26(27)36-3/h4-9,12,16,18-19,22H,10-11,13-15,17H2,1-3H3,(H,31,35)
InChIKeyKGYOXTZDIXBEIN-UHFFFAOYSA-N
XLogP4.43
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892016
4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 53333721
1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50796512
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
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
CID 53333719
1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 50797278
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 50797159
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 50797136
N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797385
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 53085986

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide (CID 50797076) is 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide is COc1ccccc1OCCNC(=O)C1CCN(c2nccn3nc(-c4ccc(C)c(C)c4)cc23)CC1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is KGYOXTZDIXBEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-20-8-9-23(18-21(20)2)24-19-25-28(30-12-16-34(25)32-24)33-14-10-22(11-15-33)29(35)31-13-17-37-27-7-5-4-6-26(27)36-3/h4-9,12,16,18-19,22H,10-11,13-15,17H2,1-3H3,(H,31,35).
What are the key properties of 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide?
1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50797076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).