N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine

C21H22N4 — CID 162166087

IUPACN-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESC1=C(c2nc3cnccn3c2NC2CCCCC2)Cc2ccccc21
InChIInChI=1S/C21H22N4/c1-2-8-18(9-3-1)23-21-20(24-19-14-22-10-11-25(19)21)17-12-15-6-4-5-7-16(15)13-17/h4-7,10-12,14,18,23H,1-3,8-9,13H2
InChIKeyZNDLOPWREBBRHI-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.57
Rot. Bonds3

About N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine

N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 162166087) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID162166087
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESC1=C(c2nc3cnccn3c2NC2CCCCC2)Cc2ccccc21
InChIInChI=1S/C21H22N4/c1-2-8-18(9-3-1)23-21-20(24-19-14-22-10-11-25(19)21)17-12-15-6-4-5-7-16(15)13-17/h4-7,10-12,14,18,23H,1-3,8-9,13H2
InChIKeyZNDLOPWREBBRHI-UHFFFAOYSA-N
XLogP4.57
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine (CID 162166087) is N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine is C1=C(c2nc3cnccn3c2NC2CCCCC2)Cc2ccccc21.
What is the InChIKey of N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is ZNDLOPWREBBRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-8-18(9-3-1)23-21-20(24-19-14-22-10-11-25(19)21)17-12-15-6-4-5-7-16(15)13-17/h4-7,10-12,14,18,23H,1-3,8-9,13H2.
What are the key properties of N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine?
N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 162166087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).