[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone

C16H19F2N5O — CID 131679096

IUPAC[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1
InChIInChI=1S/C16H19F2N5O/c1-10-6-12(10)15(24)21-3-2-14-19-8-13(22(14)5-4-21)11-7-20-23(9-11)16(17)18/h7-10,12,16H,2-6H2,1H3
InChIKeyQGWAYBNFXZBUBW-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.18
Rot. Bonds3

About [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone

[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone (PubChem CID 131679096) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone
PubChem CID131679096
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1
InChIInChI=1S/C16H19F2N5O/c1-10-6-12(10)15(24)21-3-2-14-19-8-13(22(14)5-4-21)11-7-20-23(9-11)16(17)18/h7-10,12,16H,2-6H2,1H3
InChIKeyQGWAYBNFXZBUBW-UHFFFAOYSA-N
XLogP2.18
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone with MolForge

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Related Compounds

2-(1-Methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 128979453
[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(3R)-oxolan-3-yl]methanone
CID 129556189
[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(3S)-oxolan-3-yl]methanone
CID 129556190
1-[3-[1-(Difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-ethoxyethanone
CID 129556192
(5R)-5-[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carbonyl]pyrrolidin-2-one
CID 129556255
[3-(1,4-Dimethylpyrazol-5-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclobutyl)methanone
CID 129556319
1-[3-[1-(Difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-morpholin-4-ylethanone
CID 129556332
2-Cyclohexyl-1-[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 129556447
[3-[1-(Difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1-fluorocyclobutyl)methanone
CID 129556462
[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
CID 129556470
[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 129556471
[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 129556472

Frequently Asked Questions

What is the IUPAC name of [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone (CID 131679096) is [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCc2ncc(-c3cnn(C(F)F)c3)n2CC1.
What is the InChIKey of [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is QGWAYBNFXZBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-10-6-12(10)15(24)21-3-2-14-19-8-13(22(14)5-4-21)11-7-20-23(9-11)16(17)18/h7-10,12,16H,2-6H2,1H3.
What are the key properties of [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone?
[3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 335.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(difluoromethyl)pyrazol-4-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 131679096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).