7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C18H28N4O3 — CID 133137272

IUPAC7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCC1CCOCC1)C1CN(C2CCOCC2)Cc2cncn21
InChIInChI=1S/C18H28N4O3/c23-18(20-9-14-1-5-24-6-2-14)17-12-21(15-3-7-25-8-4-15)11-16-10-19-13-22(16)17/h10,13-15,17H,1-9,11-12H2,(H,20,23)
InChIKeyVLTPHEFLDNMTHU-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.96
Rot. Bonds4

About 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 133137272) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID133137272
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCC1CCOCC1)C1CN(C2CCOCC2)Cc2cncn21
InChIInChI=1S/C18H28N4O3/c23-18(20-9-14-1-5-24-6-2-14)17-12-21(15-3-7-25-8-4-15)11-16-10-19-13-22(16)17/h10,13-15,17H,1-9,11-12H2,(H,20,23)
InChIKeyVLTPHEFLDNMTHU-UHFFFAOYSA-N
XLogP0.96
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694410
N-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133137257
(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124781090
7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133141067
(5R)-N-(cyclopropylmethyl)-7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124782068
7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131660552
7-(cyclobutanecarbonyl)-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694370
2-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155845905
(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124782287
(3aR,6S,6aR)-4-[(3-methylimidazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 98896897
7-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694188
7-(2-ethoxyacetyl)-N-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131693822

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 133137272) is 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is O=C(NCC1CCOCC1)C1CN(C2CCOCC2)Cc2cncn21.
What is the InChIKey of 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is VLTPHEFLDNMTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c23-18(20-9-14-1-5-24-6-2-14)17-12-21(15-3-7-25-8-4-15)11-16-10-19-13-22(16)17/h10,13-15,17H,1-9,11-12H2,(H,20,23).
What are the key properties of 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 133137272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).