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

C16H19N3O3 — CID 97405977

IUPAC[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCn2cnc(COCC3CC3)c2C1
InChIInChI=1S/C16H19N3O3/c20-16(13-3-6-21-9-13)18-4-5-19-11-17-14(15(19)7-18)10-22-8-12-1-2-12/h3,6,9,11-12H,1-2,4-5,7-8,10H2
InChIKeyOFEMCCXJPJZTOS-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.06
Rot. Bonds5

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

[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone (PubChem CID 97405977) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
PubChem CID97405977
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCn2cnc(COCC3CC3)c2C1
InChIInChI=1S/C16H19N3O3/c20-16(13-3-6-21-9-13)18-4-5-19-11-17-14(15(19)7-18)10-22-8-12-1-2-12/h3,6,9,11-12H,1-2,4-5,7-8,10H2
InChIKeyOFEMCCXJPJZTOS-UHFFFAOYSA-N
XLogP2.06
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-furyl(3-methyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71836377
[(4aR,7aS)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(furan-3-yl)methanone
CID 97377527
1-(Cyclopropylmethoxymethyl)-8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97381668
[1-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(furan-3-yl)methanone
CID 97381679
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 97405982
furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97406822
[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
5-(furan-3-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739313
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739773
[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 118740887
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 118741081

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone?
The IUPAC name of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone (CID 97405977) is [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCn2cnc(COCC3CC3)c2C1.
What is the InChIKey of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone?
The InChIKey is OFEMCCXJPJZTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(13-3-6-21-9-13)18-4-5-19-11-17-14(15(19)7-18)10-22-8-12-1-2-12/h3,6,9,11-12H,1-2,4-5,7-8,10H2.
What are the key properties of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone?
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(furan-3-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 2.06, 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]-(furan-3-yl)methanone is sourced from PubChem (CID 97405977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).