7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C20H29N3O3 — CID 122652247

IUPAC7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCOC1CCC(Cn2c(C)cn3c(C4CCOCC4)ncc3c2=O)CC1
InChIInChI=1S/C20H29N3O3/c1-14-12-23-18(11-21-19(23)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h11-12,15-17H,3-10,13H2,1-2H3
InChIKeyRPFGNHZGIBGJKF-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.90
Rot. Bonds4

About 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652247) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652247
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCOC1CCC(Cn2c(C)cn3c(C4CCOCC4)ncc3c2=O)CC1
InChIInChI=1S/C20H29N3O3/c1-14-12-23-18(11-21-19(23)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h11-12,15-17H,3-10,13H2,1-2H3
InChIKeyRPFGNHZGIBGJKF-UHFFFAOYSA-N
XLogP2.90
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652247) is 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is COC1CCC(Cn2c(C)cn3c(C4CCOCC4)ncc3c2=O)CC1.
What is the InChIKey of 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is RPFGNHZGIBGJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-12-23-18(11-21-19(23)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h11-12,15-17H,3-10,13H2,1-2H3.
What are the key properties of 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 359.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxycyclohexyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).