5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine

C18H14F3N5 — CID 166043280

IUPAC5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine
SMILESFCCNc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2
InChIInChI=1S/C18H14F3N5/c19-6-7-22-10-4-5-14-11(8-10)17-15(9-23-26-17)25-18(24-14)16-12(20)2-1-3-13(16)21/h1-5,8-9,22H,6-7H2,(H,23,26)(H,24,25)
InChIKeyBIHSGKLEDYTSOT-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.24
Rot. Bonds4

About 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine

5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine (PubChem CID 166043280) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine
PubChem CID166043280
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine
SMILESFCCNc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2
InChIInChI=1S/C18H14F3N5/c19-6-7-22-10-4-5-14-11(8-10)17-15(9-23-26-17)25-18(24-14)16-12(20)2-1-3-13(16)21/h1-5,8-9,22H,6-7H2,(H,23,26)(H,24,25)
InChIKeyBIHSGKLEDYTSOT-UHFFFAOYSA-N
XLogP4.24
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine 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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)aniline
CID 22493258
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)aniline
CID 22493365
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209857
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209911
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209964
1-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 155531380
1-N-[[5-(3,5-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 155543075
N-[(3,5-difluorophenyl)methyl]-1H-indazol-5-amine
CID 22609821
N-[(2,6-difluorophenyl)methyl]-1H-indazol-5-amine
CID 23967533
N-[(2,4-difluorophenyl)methyl]-1H-indazol-5-amine
CID 43690852
1-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]piperazine
CID 59854796
N'-[3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 59888686

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine (CID 166043280) is 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine is FCCNc1ccc2c(c1)-c1[nH]ncc1NC(c1c(F)cccc1F)=N2.
What is the InChIKey of 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine?
The InChIKey is BIHSGKLEDYTSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c19-6-7-22-10-4-5-14-11(8-10)17-15(9-23-26-17)25-18(24-14)16-12(20)2-1-3-13(16)21/h1-5,8-9,22H,6-7H2,(H,23,26)(H,24,25).
What are the key properties of 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine?
5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine has a molecular weight of 357.34 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-9-amine is sourced from PubChem (CID 166043280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).