6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide

C20H23FN4O2 — CID 121358827

IUPAC6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide
SMILESCC(C)NC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2cn[nH]c21
InChIInChI=1S/C20H23FN4O2/c1-12(2)23-18(26)15-10-25(19(27)13-5-7-14(21)8-6-13)11-20(3,4)16-9-22-24-17(15)16/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyGOQXKWFRXWYGPM-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.85
Rot. Bonds3

About 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide

6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide (PubChem CID 121358827) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide.

Molecular Properties

Compound Name6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide
PubChem CID121358827
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide
SMILESCC(C)NC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2cn[nH]c21
InChIInChI=1S/C20H23FN4O2/c1-12(2)23-18(26)15-10-25(19(27)13-5-7-14(21)8-6-13)11-20(3,4)16-9-22-24-17(15)16/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyGOQXKWFRXWYGPM-UHFFFAOYSA-N
XLogP2.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide with MolForge

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Related Compounds

propan-2-yl 12-(3,4-difluorobenzoyl)-6-fluoro-10,10-dimethyl-2,4,12-triazabicyclo[7.5.0]tetradeca-1(9),3,5,7,13-pentaene-14-carboxylate
CID 121439467
11-(3,4-difluorobenzoyl)-13,13-dimethyl-N-propan-2-yl-3-(trifluoromethyl)-5-thia-4,7,11-triazatricyclo[6.5.0.02,6]trideca-1(8),2(6),3,9-tetraene-9-carboxamide
CID 137250424
N-ethyl-6-(4-fluorobenzoyl)-3,4,4-trimethyl-2,5-dihydropyrazolo[3,4-d]azepine-8-carboxamide
CID 121358844
ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-[methyl(propan-2-ylcarbamoyl)amino]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
CID 11443797
propan-2-yl 6-(4-fluoro-3-methylbenzoyl)-1,2,4,4-tetramethyl-5H-pyrrolo[2,3-d]azepine-8-carboxylate
CID 159258001
propan-2-yl 6-(3,4-difluorobenzoyl)-4,4-dimethyl-3-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]azepine-8-carboxylate
CID 121350826
propan-2-yl 6-(3-fluorobenzoyl)-3-(2-methoxyethyl)-4,4-dimethyl-2,5-dihydropyrazolo[3,4-d]azepine-8-carboxylate
CID 121358881
6-(3,4-difluorobenzoyl)-2-ethoxycarbonyl-4,4-dimethyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylic acid
CID 150662502
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
propan-2-yl 3-(4-hydroxybenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
CID 45104637
propan-2-yl 11-(3,4-difluorobenzoyl)-5,13,13-trimethyl-3,4,5,7,11-pentazatricyclo[6.5.0.02,6]trideca-1(8),2(6),3,9-tetraene-9-carboxylate
CID 137250430
propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(morpholin-4-ylmethoxy)benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
CID 162700792

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide?
The IUPAC name of 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide (CID 121358827) is 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide.
What is the SMILES notation for 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide?
The canonical SMILES for 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide is CC(C)NC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2cn[nH]c21.
What is the InChIKey of 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide?
The InChIKey is GOQXKWFRXWYGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12(2)23-18(26)15-10-25(19(27)13-5-7-14(21)8-6-13)11-20(3,4)16-9-22-24-17(15)16/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,26).
What are the key properties of 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide?
6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorobenzoyl)-4,4-dimethyl-N-propan-2-yl-1,5-dihydropyrazolo[4,5-d]azepine-8-carboxamide is sourced from PubChem (CID 121358827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).