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

C30H35N5O2 — CID 11504226

IUPAC3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC(CN4CCOCC4)CC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C30H35N5O2/c31-29-28-27(25-7-4-8-26(19-25)37-21-23-5-2-1-3-6-23)33-30(35(28)14-13-32-29)24-11-9-22(10-12-24)20-34-15-17-36-18-16-34/h1-8,13-14,19,22,24H,9-12,15-18,20-21H2,(H2,31,32)
InChIKeyIEZNLWGERBHQJK-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.16
Rot. Bonds7

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

3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11504226) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11504226
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC(CN4CCOCC4)CC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C30H35N5O2/c31-29-28-27(25-7-4-8-26(19-25)37-21-23-5-2-1-3-6-23)33-30(35(28)14-13-32-29)24-11-9-22(10-12-24)20-34-15-17-36-18-16-34/h1-8,13-14,19,22,24H,9-12,15-18,20-21H2,(H2,31,32)
InChIKeyIEZNLWGERBHQJK-UHFFFAOYSA-N
XLogP5.16
TPSA77.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 11504226) is 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC(CN4CCOCC4)CC3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is IEZNLWGERBHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c31-29-28-27(25-7-4-8-26(19-25)37-21-23-5-2-1-3-6-23)33-30(35(28)14-13-32-29)24-11-9-22(10-12-24)20-34-15-17-36-18-16-34/h1-8,13-14,19,22,24H,9-12,15-18,20-21H2,(H2,31,32).
What are the key properties of 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 497.64 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholin-4-ylmethyl)cyclohexyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11504226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).