1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one

C16H25N3O3 — CID 97475166

IUPAC1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1
InChIInChI=1S/C16H25N3O3/c1-21-5-4-16(20)18-7-14(11-22-10-13-2-3-13)8-19-12-17-6-15(19)9-18/h6,12-14H,2-5,7-11H2,1H3/t14-/m0/s1
InChIKeyOCPXFZSBXHFVKG-AWEZNQCLSA-N
MW307.39 g/mol
LogP1.30
Rot. Bonds7

About 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one

1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one (PubChem CID 97475166) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one
PubChem CID97475166
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1
InChIInChI=1S/C16H25N3O3/c1-21-5-4-16(20)18-7-14(11-22-10-13-2-3-13)8-19-12-17-6-15(19)9-18/h6,12-14H,2-5,7-11H2,1H3/t14-/m0/s1
InChIKeyOCPXFZSBXHFVKG-AWEZNQCLSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one (CID 97475166) is 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one is COCCC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1.
What is the InChIKey of 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one?
The InChIKey is OCPXFZSBXHFVKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-5-4-16(20)18-7-14(11-22-10-13-2-3-13)8-19-12-17-6-15(19)9-18/h6,12-14H,2-5,7-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one?
1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one has a molecular weight of 307.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 97475166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).