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

C18H26N4O3 — CID 131694410

IUPAC7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCC1CCOCC1)C1CN(C(=O)C2CCC2)Cc2cncn21
InChIInChI=1S/C18H26N4O3/c23-17(20-8-13-4-6-25-7-5-13)16-11-21(18(24)14-2-1-3-14)10-15-9-19-12-22(15)16/h9,12-14,16H,1-8,10-11H2,(H,20,23)
InChIKeyHRTYFXRMYPUIMA-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.11
Rot. Bonds4

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

7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 131694410) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID131694410
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCC1CCOCC1)C1CN(C(=O)C2CCC2)Cc2cncn21
InChIInChI=1S/C18H26N4O3/c23-17(20-8-13-4-6-25-7-5-13)16-11-21(18(24)14-2-1-3-14)10-15-9-19-12-22(15)16/h9,12-14,16H,1-8,10-11H2,(H,20,23)
InChIKeyHRTYFXRMYPUIMA-UHFFFAOYSA-N
XLogP1.11
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133137272
7-(cyclobutanecarbonyl)-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694370
N-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133137257
7-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694188
(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
2-methylsulfonyl-1-[(5R)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783213
1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91127022
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124788803

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 131694410) is 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is O=C(NCC1CCOCC1)C1CN(C(=O)C2CCC2)Cc2cncn21.
What is the InChIKey of 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is HRTYFXRMYPUIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(20-8-13-4-6-25-7-5-13)16-11-21(18(24)14-2-1-3-14)10-15-9-19-12-22(15)16/h9,12-14,16H,1-8,10-11H2,(H,20,23).
What are the key properties of 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 131694410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).