5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C17H18N6O — CID 131639467

IUPAC5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESc1cnc(N2Cc3cncn3C(COCc3cccnc3)C2)nc1
InChIInChI=1S/C17H18N6O/c1-3-14(7-18-4-1)11-24-12-16-10-22(17-20-5-2-6-21-17)9-15-8-19-13-23(15)16/h1-8,13,16H,9-12H2
InChIKeyPSADAANSVGBAOU-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.85
Rot. Bonds5

About 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 131639467) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID131639467
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESc1cnc(N2Cc3cncn3C(COCc3cccnc3)C2)nc1
InChIInChI=1S/C17H18N6O/c1-3-14(7-18-4-1)11-24-12-16-10-22(17-20-5-2-6-21-17)9-15-8-19-13-23(15)16/h1-8,13,16H,9-12H2
InChIKeyPSADAANSVGBAOU-UHFFFAOYSA-N
XLogP1.85
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 131646829
2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131654847
(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124797839
3-(oxiran-2-ylmethoxymethyl)pyridine
CID 23054420
(5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124813674
(5S)-7-[(5-methylfuran-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124818211
2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155865169
(3aS,5R,7aS)-5-(pyridin-3-ylmethoxymethyl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461237
[(5R)-5-(cyclopentylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 124794206
1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 124788233
(5R)-7-(furan-3-ylmethyl)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124803021
7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58514385

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 131639467) is 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is c1cnc(N2Cc3cncn3C(COCc3cccnc3)C2)nc1.
What is the InChIKey of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is PSADAANSVGBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-3-14(7-18-4-1)11-24-12-16-10-22(17-20-5-2-6-21-17)9-15-8-19-13-23(15)16/h1-8,13,16H,9-12H2.
What are the key properties of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 322.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 131639467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).