[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone

C16H20N4O2 — CID 118745043

IUPAC[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOCC1CN(C(=O)c2cccc(C)n2)Cc2nccn2C1
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-14(18-12)16(21)20-9-13(11-22-2)8-19-7-6-17-15(19)10-20/h3-7,13H,8-11H2,1-2H3
InChIKeyVCAJXGAKRVOCQA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.51
Rot. Bonds3

About [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone

[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 118745043) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID118745043
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCOCC1CN(C(=O)c2cccc(C)n2)Cc2nccn2C1
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-14(18-12)16(21)20-9-13(11-22-2)8-19-7-6-17-15(19)10-20/h3-7,13H,8-11H2,1-2H3
InChIKeyVCAJXGAKRVOCQA-UHFFFAOYSA-N
XLogP1.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646208
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrazin-2-ylmethanone
CID 97462351
2-methoxy-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118739329
[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 97383270
(6R)-8-(benzenesulfonyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462213
[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131660494
(6S)-6-(methoxymethyl)-8-(pyridin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381728
[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(3-fluoro-4-pyridinyl)methanone
CID 131659174
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
(6S)-6-(methoxymethyl)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381732
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017

Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone (CID 118745043) is [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone is COCC1CN(C(=O)c2cccc(C)n2)Cc2nccn2C1.
What is the InChIKey of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is VCAJXGAKRVOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-3-5-14(18-12)16(21)20-9-13(11-22-2)8-19-7-6-17-15(19)10-20/h3-7,13H,8-11H2,1-2H3.
What are the key properties of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone?
[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 118745043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).