N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

C24H25N5O2S — CID 53086068

IUPACN-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1
InChIInChI=1S/C24H25N5O2S/c1-31-19-6-4-17(5-7-19)16-26-24(30)18-8-11-28(12-9-18)23-21-15-20(22-3-2-14-32-22)27-29(21)13-10-25-23/h2-7,10,13-15,18H,8-9,11-12,16H2,1H3,(H,26,30)
InChIKeyJSDUSQHAFWBGSE-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.00
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 53086068) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID53086068
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1
InChIInChI=1S/C24H25N5O2S/c1-31-19-6-4-17(5-7-19)16-26-24(30)18-8-11-28(12-9-18)23-21-15-20(22-3-2-14-32-22)27-29(21)13-10-25-23/h2-7,10,13-15,18H,8-9,11-12,16H2,1H3,(H,26,30)
InChIKeyJSDUSQHAFWBGSE-UHFFFAOYSA-N
XLogP4.00
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 50797278
1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 53333694
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
1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-ol
CID 56771072
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892125
N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797416
1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 50797076
1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341479
N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797385
1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid
CID 46507058

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 53086068) is N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is JSDUSQHAFWBGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-31-19-6-4-17(5-7-19)16-26-24(30)18-8-11-28(12-9-18)23-21-15-20(22-3-2-14-32-22)27-29(21)13-10-25-23/h2-7,10,13-15,18H,8-9,11-12,16H2,1H3,(H,26,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53086068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).