3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine

C21H24N6 — CID 16678353

IUPAC3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C21H24N6/c22-12-13-5-7-14(8-6-13)21-26-18(19-20(23)24-9-10-27(19)21)17-11-15-3-1-2-4-16(15)25-17/h1-4,9-11,13-14,25H,5-8,12,22H2,(H2,23,24)
InChIKeyBSCFXRGIRSAPIO-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.69
Rot. Bonds3

About 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine

3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 16678353) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID16678353
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C21H24N6/c22-12-13-5-7-14(8-6-13)21-26-18(19-20(23)24-9-10-27(19)21)17-11-15-3-1-2-4-16(15)25-17/h1-4,9-11,13-14,25H,5-8,12,22H2,(H2,23,24)
InChIKeyBSCFXRGIRSAPIO-UHFFFAOYSA-N
XLogP3.69
TPSA98.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 16678353) is 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is NCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is BSCFXRGIRSAPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c22-12-13-5-7-14(8-6-13)21-26-18(19-20(23)24-9-10-27(19)21)17-11-15-3-1-2-4-16(15)25-17/h1-4,9-11,13-14,25H,5-8,12,22H2,(H2,23,24).
What are the key properties of 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 360.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)cyclohexyl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 16678353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).