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

C21H21N5O2S — CID 50797437

IUPACN-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1
InChIInChI=1S/C21H21N5O2S/c27-21(23-14-16-3-1-11-28-16)15-5-8-25(9-6-15)20-18-13-17(19-4-2-12-29-19)24-26(18)10-7-22-20/h1-4,7,10-13,15H,5-6,8-9,14H2,(H,23,27)
InChIKeyVMNANVDZHIASQJ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.58
Rot. Bonds5

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

N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 50797437) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID50797437
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1
InChIInChI=1S/C21H21N5O2S/c27-21(23-14-16-3-1-11-28-16)15-5-8-25(9-6-15)20-18-13-17(19-4-2-12-29-19)24-26(18)10-7-22-20/h1-4,7,10-13,15H,5-6,8-9,14H2,(H,23,27)
InChIKeyVMNANVDZHIASQJ-UHFFFAOYSA-N
XLogP3.58
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 50797437) is N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is VMNANVDZHIASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-21(23-14-16-3-1-11-28-16)15-5-8-25(9-6-15)20-18-13-17(19-4-2-12-29-19)24-26(18)10-7-22-20/h1-4,7,10-13,15H,5-6,8-9,14H2,(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50797437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).