N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

C24H25N5O2S — CID 50797017

IUPACN-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)c1
InChIInChI=1S/C24H25N5O2S/c1-31-19-5-2-4-17(14-19)16-26-24(30)18-7-10-28(11-8-18)23-21-15-20(22-6-3-13-32-22)27-29(21)12-9-25-23/h2-6,9,12-15,18H,7-8,10-11,16H2,1H3,(H,26,30)
InChIKeyUTMXFUHRCVXUTB-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.00
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 50797017) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID50797017
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)c1
InChIInChI=1S/C24H25N5O2S/c1-31-19-5-2-4-17(14-19)16-26-24(30)18-7-10-28(11-8-18)23-21-15-20(22-6-3-13-32-22)27-29(21)12-9-25-23/h2-6,9,12-15,18H,7-8,10-11,16H2,1H3,(H,26,30)
InChIKeyUTMXFUHRCVXUTB-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-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 50797017) is N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is UTMXFUHRCVXUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-31-19-5-2-4-17(14-19)16-26-24(30)18-7-10-28(11-8-18)23-21-15-20(22-6-3-13-32-22)27-29(21)12-9-25-23/h2-6,9,12-15,18H,7-8,10-11,16H2,1H3,(H,26,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-[(3-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-[(3-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50797017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).