8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine

C25H25ClN4O — CID 59852763

IUPAC8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
SMILESCN1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(Cl)nccn23)CC1
InChIInChI=1S/C25H25ClN4O/c1-29-13-10-19(11-14-29)25-28-22(23-24(26)27-12-15-30(23)25)20-8-5-9-21(16-20)31-17-18-6-3-2-4-7-18/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3
InChIKeyDTIOSQDOGPVQLK-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.44
Rot. Bonds5

About 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine

8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine (PubChem CID 59852763) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
PubChem CID59852763
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
SMILESCN1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(Cl)nccn23)CC1
InChIInChI=1S/C25H25ClN4O/c1-29-13-10-19(11-14-29)25-28-22(23-24(26)27-12-15-30(23)25)20-8-5-9-21(16-20)31-17-18-6-3-2-4-7-18/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3
InChIKeyDTIOSQDOGPVQLK-UHFFFAOYSA-N
XLogP5.44
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine (CID 59852763) is 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine is CN1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(Cl)nccn23)CC1.
What is the InChIKey of 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The InChIKey is DTIOSQDOGPVQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-29-13-10-19(11-14-29)25-28-22(23-24(26)27-12-15-30(23)25)20-8-5-9-21(16-20)31-17-18-6-3-2-4-7-18/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3.
What are the key properties of 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine has a molecular weight of 432.96 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 59852763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).