[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol

C18H19N3O2 — CID 70403650

IUPAC[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol
SMILESCc1nc2c(OC3CCCc4ccccc43)nccn2c1CO
InChIInChI=1S/C18H19N3O2/c1-12-15(11-22)21-10-9-19-18(17(21)20-12)23-16-8-4-6-13-5-2-3-7-14(13)16/h2-3,5,7,9-10,16,22H,4,6,8,11H2,1H3
InChIKeyZXPXJMRROPJRTN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.99
Rot. Bonds3

About [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol

[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol (PubChem CID 70403650) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol
PubChem CID70403650
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol
SMILESCc1nc2c(OC3CCCc4ccccc43)nccn2c1CO
InChIInChI=1S/C18H19N3O2/c1-12-15(11-22)21-10-9-19-18(17(21)20-12)23-16-8-4-6-13-5-2-3-7-14(13)16/h2-3,5,7,9-10,16,22H,4,6,8,11H2,1H3
InChIKeyZXPXJMRROPJRTN-UHFFFAOYSA-N
XLogP2.99
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol?
The IUPAC name of [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol (CID 70403650) is [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol?
The canonical SMILES for [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol is Cc1nc2c(OC3CCCc4ccccc43)nccn2c1CO.
What is the InChIKey of [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol?
The InChIKey is ZXPXJMRROPJRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-15(11-22)21-10-9-19-18(17(21)20-12)23-16-8-4-6-13-5-2-3-7-14(13)16/h2-3,5,7,9-10,16,22H,4,6,8,11H2,1H3.
What are the key properties of [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol?
[2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-8-(1,2,3,4-tetrahydronaphthalen-1-yloxy)imidazo[1,2-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 70403650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).