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

C16H25N3O3 — CID 118741209

IUPAC1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCn2c(COCC3CC3)cnc2C1C
InChIInChI=1S/C16H25N3O3/c1-12-16-17-9-14(11-22-10-13-3-4-13)19(16)7-6-18(12)15(20)5-8-21-2/h9,12-13H,3-8,10-11H2,1-2H3
InChIKeyMDZJQTPPQBFFKY-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.75
Rot. Bonds7

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

1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one (PubChem CID 118741209) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one
PubChem CID118741209
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCn2c(COCC3CC3)cnc2C1C
InChIInChI=1S/C16H25N3O3/c1-12-16-17-9-14(11-22-10-13-3-4-13)19(16)7-6-18(12)15(20)5-8-21-2/h9,12-13H,3-8,10-11H2,1-2H3
InChIKeyMDZJQTPPQBFFKY-UHFFFAOYSA-N
XLogP1.75
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one (CID 118741209) is 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCn2c(COCC3CC3)cnc2C1C.
What is the InChIKey of 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one?
The InChIKey is MDZJQTPPQBFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12-16-17-9-14(11-22-10-13-3-4-13)19(16)7-6-18(12)15(20)5-8-21-2/h9,12-13H,3-8,10-11H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one?
1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one has a molecular weight of 307.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 118741209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).