N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C21H19N5OS — CID 57382314

IUPACN-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1
InChIInChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27)
InChIKeyYUHKXKGPLTYXSO-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.96
Rot. Bonds6

About N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57382314) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57382314
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1
InChIInChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27)
InChIKeyYUHKXKGPLTYXSO-UHFFFAOYSA-N
XLogP3.96
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57382314) is N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is YUHKXKGPLTYXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27).
What are the key properties of N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57382314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).