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

C24H25N5O2S — CID 50797018

IUPACN-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1
InChIInChI=1S/C24H25N5O2S/c1-31-21-6-3-2-5-18(21)16-26-24(30)17-8-11-28(12-9-17)23-20-15-19(22-7-4-14-32-22)27-29(20)13-10-25-23/h2-7,10,13-15,17H,8-9,11-12,16H2,1H3,(H,26,30)
InChIKeyPMLWCGSEWGZAAR-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.00
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 50797018) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID50797018
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1
InChIInChI=1S/C24H25N5O2S/c1-31-21-6-3-2-5-18(21)16-26-24(30)17-8-11-28(12-9-17)23-20-15-19(22-7-4-14-32-22)27-29(20)13-10-25-23/h2-7,10,13-15,17H,8-9,11-12,16H2,1H3,(H,26,30)
InChIKeyPMLWCGSEWGZAAR-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 50797018) is N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is PMLWCGSEWGZAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-31-21-6-3-2-5-18(21)16-26-24(30)17-8-11-28(12-9-17)23-20-15-19(22-7-4-14-32-22)27-29(20)13-10-25-23/h2-7,10,13-15,17H,8-9,11-12,16H2,1H3,(H,26,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-[(2-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-[(2-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50797018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).