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

C19H22F3N5O3 — CID 155825694

IUPAC6-[(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
SMILESCC(C)N1Cc2cncn2CC(COc2ccc(C#N)cn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N5O.C2HF3O2/c1-13(2)21-8-15(9-22-12-19-7-16(22)10-21)11-23-17-4-3-14(5-18)6-20-17;3-2(4,5)1(6)7/h3-4,6-7,12-13,15H,8-11H2,1-2H3;(H,6,7)
InChIKeyITJFURAYQNWOPE-UHFFFAOYSA-N
MW425.41 g/mol
LogP2.70
Rot. Bonds4

About 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

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 (PubChem CID 155825694) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID155825694
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC Name6-[(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
SMILESCC(C)N1Cc2cncn2CC(COc2ccc(C#N)cn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N5O.C2HF3O2/c1-13(2)21-8-15(9-22-12-19-7-16(22)10-21)11-23-17-4-3-14(5-18)6-20-17;3-2(4,5)1(6)7/h3-4,6-7,12-13,15H,8-11H2,1-2H3;(H,6,7)
InChIKeyITJFURAYQNWOPE-UHFFFAOYSA-N
XLogP2.70
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
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
[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-[(3-fluoro-2-pyridinyl)oxymethyl]-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155845736
6-(cyclobutylmethoxymethyl)-8-(cyclobutylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155832299
6-[[5-(2-thiophen-3-ylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 155828209
6-(cyclopropylmethoxymethyl)-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155855681
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
6-(ethoxymethyl)-8-(quinolin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155838044
6-[2-[(3R,3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 155852896
6-[2-[(3R,3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 171697277

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1Cc2cncn2CC(COc2ccc(C#N)cn2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is ITJFURAYQNWOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O.C2HF3O2/c1-13(2)21-8-15(9-22-12-19-7-16(22)10-21)11-23-17-4-3-14(5-18)6-20-17;3-2(4,5)1(6)7/h3-4,6-7,12-13,15H,8-11H2,1-2H3;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 425.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155825694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).