3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C26H29N5O — CID 11750704

IUPAC3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNCC1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H29N5O/c27-16-18-9-11-20(12-10-18)26-30-23(24-25(28)29-13-14-31(24)26)21-7-4-8-22(15-21)32-17-19-5-2-1-3-6-19/h1-8,13-15,18,20H,9-12,16-17,27H2,(H2,28,29)
InChIKeyRIVRPRJLXIRWBM-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.79
Rot. Bonds6

About 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11750704) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11750704
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNCC1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H29N5O/c27-16-18-9-11-20(12-10-18)26-30-23(24-25(28)29-13-14-31(24)26)21-7-4-8-22(15-21)32-17-19-5-2-1-3-6-19/h1-8,13-15,18,20H,9-12,16-17,27H2,(H2,28,29)
InChIKeyRIVRPRJLXIRWBM-UHFFFAOYSA-N
XLogP4.79
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 11750704) is 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is NCC1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1.
What is the InChIKey of 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is RIVRPRJLXIRWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c27-16-18-9-11-20(12-10-18)26-30-23(24-25(28)29-13-14-31(24)26)21-7-4-8-22(15-21)32-17-19-5-2-1-3-6-19/h1-8,13-15,18,20H,9-12,16-17,27H2,(H2,28,29).
What are the key properties of 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 427.55 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11750704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).