5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C19H25N7OS — CID 42508633

IUPAC5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESc1csc(CNc2nc3nonc3nc2N2CCCN(C3CCCC3)CC2)c1
InChIInChI=1S/C19H25N7OS/c1-2-6-14(5-1)25-8-4-9-26(11-10-25)19-18(20-13-15-7-3-12-28-15)21-16-17(22-19)24-27-23-16/h3,7,12,14H,1-2,4-6,8-11,13H2,(H,20,21,23)
InChIKeyZSWDNGAHPFSMOA-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.14
Rot. Bonds5

About 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 42508633) has the molecular formula C19H25N7OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID42508633
Molecular FormulaC19H25N7OS
Molecular Weight399.52 g/mol
Exact Mass399.18
IUPAC Name5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESc1csc(CNc2nc3nonc3nc2N2CCCN(C3CCCC3)CC2)c1
InChIInChI=1S/C19H25N7OS/c1-2-6-14(5-1)25-8-4-9-26(11-10-25)19-18(20-13-15-7-3-12-28-15)21-16-17(22-19)24-27-23-16/h3,7,12,14H,1-2,4-6,8-11,13H2,(H,20,21,23)
InChIKeyZSWDNGAHPFSMOA-UHFFFAOYSA-N
XLogP3.14
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 42508633) is 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is c1csc(CNc2nc3nonc3nc2N2CCCN(C3CCCC3)CC2)c1.
What is the InChIKey of 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is ZSWDNGAHPFSMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS/c1-2-6-14(5-1)25-8-4-9-26(11-10-25)19-18(20-13-15-7-3-12-28-15)21-16-17(22-19)24-27-23-16/h3,7,12,14H,1-2,4-6,8-11,13H2,(H,20,21,23).
What are the key properties of 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 399.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 42508633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).