2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide

C27H33N5OS — CID 10096510

IUPAC2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1
InChIInChI=1S/C27H33N5OS/c1-27(2,26(33)29-18-9-4-3-5-10-18)24-16-32-15-22(30-21(12-8-14-28)25(32)31-24)20-17-34-23-13-7-6-11-19(20)23/h6-7,11,13,15-18H,3-5,8-10,12,14,28H2,1-2H3,(H,29,33)
InChIKeyQSIQDAIODXAVEF-UHFFFAOYSA-N
MW475.66 g/mol
LogP5.23
Rot. Bonds7

About 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide

2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide (PubChem CID 10096510) has the molecular formula C27H33N5OS and a molecular weight of 475.66 g/mol. Its IUPAC name is 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide
PubChem CID10096510
Molecular FormulaC27H33N5OS
Molecular Weight475.66 g/mol
Exact Mass475.24
IUPAC Name2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1
InChIInChI=1S/C27H33N5OS/c1-27(2,26(33)29-18-9-4-3-5-10-18)24-16-32-15-22(30-21(12-8-14-28)25(32)31-24)20-17-34-23-13-7-6-11-19(20)23/h6-7,11,13,15-18H,3-5,8-10,12,14,28H2,1-2H3,(H,29,33)
InChIKeyQSIQDAIODXAVEF-UHFFFAOYSA-N
XLogP5.23
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.66
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide?
The IUPAC name of 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide (CID 10096510) is 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide?
The canonical SMILES for 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide is CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1.
What is the InChIKey of 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide?
The InChIKey is QSIQDAIODXAVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5OS/c1-27(2,26(33)29-18-9-4-3-5-10-18)24-16-32-15-22(30-21(12-8-14-28)25(32)31-24)20-17-34-23-13-7-6-11-19(20)23/h6-7,11,13,15-18H,3-5,8-10,12,14,28H2,1-2H3,(H,29,33).
What are the key properties of 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide?
2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide has a molecular weight of 475.66 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-aminopropyl)-6-(1-benzothiophen-3-yl)imidazo[1,2-a]pyrazin-2-yl]-N-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 10096510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).