(6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide

C17H20N6O2 — CID 97477248

IUPAC(6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
SMILESCN(C)C(=O)N1Cc2cncn2C[C@@H](COc2ccc(C#N)cn2)C1
InChIInChI=1S/C17H20N6O2/c1-21(2)17(24)22-8-14(9-23-12-19-7-15(23)10-22)11-25-16-4-3-13(5-18)6-20-16/h3-4,6-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyAJNIHXUVYSUKLW-AWEZNQCLSA-N
MW340.39 g/mol
LogP1.34
Rot. Bonds3

About (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide

(6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide (PubChem CID 97477248) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name(6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
PubChem CID97477248
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
SMILESCN(C)C(=O)N1Cc2cncn2C[C@@H](COc2ccc(C#N)cn2)C1
InChIInChI=1S/C17H20N6O2/c1-21(2)17(24)22-8-14(9-23-12-19-7-15(23)10-22)11-25-16-4-3-13(5-18)6-20-16/h3-4,6-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyAJNIHXUVYSUKLW-AWEZNQCLSA-N
XLogP1.34
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide with MolForge

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Related Compounds

6-[(8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 155825694
6-[[(6R)-8-benzyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
CID 97477938
6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
CID 97476153
[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-2-ylmethanone
CID 97474798
(3-methyl-1,2-oxazol-5-yl)-[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97477062
6-[[(4R)-2-[2-(dimethylamino)acetyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-4-yl]oxy]pyridine-3-carbonitrile
CID 124805119
N,N-dimethyl-2-[[(6R)-8-(pyridin-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97485733
1-[6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 131663263
[6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155824495
6-(methoxymethyl)-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131646208
1-[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 97474682
N,N-dimethyl-2-[[(6R)-8-[(3-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97484377

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The IUPAC name of (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide (CID 97477248) is (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide is CN(C)C(=O)N1Cc2cncn2C[C@@H](COc2ccc(C#N)cn2)C1.
What is the InChIKey of (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The InChIKey is AJNIHXUVYSUKLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-21(2)17(24)22-8-14(9-23-12-19-7-15(23)10-22)11-25-16-4-3-13(5-18)6-20-16/h3-4,6-7,12,14H,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
(6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 97477248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).