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

C24H25N5OS — CID 50797068

IUPACN-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1)c1ccccc1
InChIInChI=1S/C24H25N5OS/c1-17(18-6-3-2-4-7-18)26-24(30)19-9-12-28(13-10-19)23-21-16-20(22-8-5-15-31-22)27-29(21)14-11-25-23/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H,26,30)
InChIKeyHLNADMCNIYDCHY-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.55
Rot. Bonds5

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

N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 50797068) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID50797068
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1)c1ccccc1
InChIInChI=1S/C24H25N5OS/c1-17(18-6-3-2-4-7-18)26-24(30)19-9-12-28(13-10-19)23-21-16-20(22-8-5-15-31-22)27-29(21)14-11-25-23/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H,26,30)
InChIKeyHLNADMCNIYDCHY-UHFFFAOYSA-N
XLogP4.55
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 50797068) is N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is HLNADMCNIYDCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-17(18-6-3-2-4-7-18)26-24(30)19-9-12-28(13-10-19)23-21-16-20(22-8-5-15-31-22)27-29(21)14-11-25-23/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H,26,30).
What are the key properties of N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide has a molecular weight of 431.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50797068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).