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

C30H35N5O — CID 11306193

IUPAC1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC(CN4CCCC4)CC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C30H35N5O/c31-29-28-27(25-9-6-10-26(19-25)36-21-23-7-2-1-3-8-23)33-30(35(28)18-15-32-29)24-13-11-22(12-14-24)20-34-16-4-5-17-34/h1-3,6-10,15,18-19,22,24H,4-5,11-14,16-17,20-21H2,(H2,31,32)
InChIKeyKMUZIEQFSDWDIO-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.93
Rot. Bonds7

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

1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11306193) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID11306193
Molecular FormulaC30H35N5O
Molecular Weight481.64 g/mol
Exact Mass481.28
IUPAC Name1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC(CN4CCCC4)CC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C30H35N5O/c31-29-28-27(25-9-6-10-26(19-25)36-21-23-7-2-1-3-8-23)33-30(35(28)18-15-32-29)24-13-11-22(12-14-24)20-34-16-4-5-17-34/h1-3,6-10,15,18-19,22,24H,4-5,11-14,16-17,20-21H2,(H2,31,32)
InChIKeyKMUZIEQFSDWDIO-UHFFFAOYSA-N
XLogP5.93
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 6538786
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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine (CID 11306193) is 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC(CN4CCCC4)CC3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is KMUZIEQFSDWDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O/c31-29-28-27(25-9-6-10-26(19-25)36-21-23-7-2-1-3-8-23)33-30(35(28)18-15-32-29)24-13-11-22(12-14-24)20-34-16-4-5-17-34/h1-3,6-10,15,18-19,22,24H,4-5,11-14,16-17,20-21H2,(H2,31,32).
What are the key properties of 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine?
1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 481.64 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11306193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).