(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C18H22N6O — CID 97422049

IUPAC(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cnn(C)c1
InChIInChI=1S/C18H22N6O/c1-14-18-20-9-16(13-25-17-4-3-5-19-10-17)24(18)7-6-23(14)12-15-8-21-22(2)11-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3/t14-/m1/s1
InChIKeyWYRRVIFUTJREJZ-CQSZACIVSA-N
MW338.42 g/mol
LogP2.17
Rot. Bonds5

About (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97422049) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97422049
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cnn(C)c1
InChIInChI=1S/C18H22N6O/c1-14-18-20-9-16(13-25-17-4-3-5-19-10-17)24(18)7-6-23(14)12-15-8-21-22(2)11-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3/t14-/m1/s1
InChIKeyWYRRVIFUTJREJZ-CQSZACIVSA-N
XLogP2.17
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97422049) is (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1cnn(C)c1.
What is the InChIKey of (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is WYRRVIFUTJREJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N6O/c1-14-18-20-9-16(13-25-17-4-3-5-19-10-17)24(18)7-6-23(14)12-15-8-21-22(2)11-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97422049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).