[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone

C17H21N3O3 — CID 97405982

IUPAC[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCn2cnc(COCC3CC3)c2C1
InChIInChI=1S/C17H21N3O3/c1-12-14(4-7-23-12)17(21)19-5-6-20-11-18-15(16(20)8-19)10-22-9-13-2-3-13/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyYMYCGSGDTVUCHN-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.37
Rot. Bonds5

About [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone

[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 97405982) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
PubChem CID97405982
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCn2cnc(COCC3CC3)c2C1
InChIInChI=1S/C17H21N3O3/c1-12-14(4-7-23-12)17(21)19-5-6-20-11-18-15(16(20)8-19)10-22-9-13-2-3-13/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyYMYCGSGDTVUCHN-UHFFFAOYSA-N
XLogP2.37
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 53617304
3-furyl(3-methyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71836377
(2,5-dimethylfuran-3-yl)(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264553
[(4aR,7aS)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-methylfuran-3-yl)methanone
CID 97377528
[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
CID 97382192
1-[[8-(2-Methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97405466
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97405977
2-cyclopropyl-1-[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 97467618
furan-2-yl-[1-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 97520200
[1-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
CID 97520218
furan-3-yl-[8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 118739001
1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(furan-2-yl)ethanone
CID 118739133

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone (CID 97405982) is [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCn2cnc(COCC3CC3)c2C1.
What is the InChIKey of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is YMYCGSGDTVUCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-14(4-7-23-12)17(21)19-5-6-20-11-18-15(16(20)8-19)10-22-9-13-2-3-13/h4,7,11,13H,2-3,5-6,8-10H2,1H3.
What are the key properties of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone?
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 97405982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).