1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine

C21H20FN3 — CID 68561197

IUPAC1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2ccccc2F)c2ccc(-c3ccncc3)cc2C1
InChIInChI=1S/C21H20FN3/c1-24-12-13-25(21-5-3-2-4-19(21)22)20-7-6-17(14-18(20)15-24)16-8-10-23-11-9-16/h2-11,14H,12-13,15H2,1H3
InChIKeyJCGWXSLUSOASJF-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.47
Rot. Bonds2

About 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine

1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 68561197) has the molecular formula C21H20FN3 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine
PubChem CID68561197
Molecular FormulaC21H20FN3
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCN1CCN(c2ccccc2F)c2ccc(-c3ccncc3)cc2C1
InChIInChI=1S/C21H20FN3/c1-24-12-13-25(21-5-3-2-4-19(21)22)20-7-6-17(14-18(20)15-24)16-8-10-23-11-9-16/h2-11,14H,12-13,15H2,1H3
InChIKeyJCGWXSLUSOASJF-UHFFFAOYSA-N
XLogP4.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-methyl-7-(3-methylsulfonylphenyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 68559851
1-(1-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 68556384
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
2-(4-methylpiperazin-1-yl)-5-phenylaniline
CID 175786504
2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-phenyl-1,3-dihydroisoindole
CID 90941679
1-[5-(3,4-difluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine
CID 22037639
3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370185
3-[1-(2-chlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-1H-pyridazin-6-one
CID 68659051
1-[10-(2-methylpropyl)-14-pyridin-4-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-yl]ethanone
CID 110075613
17-fluoro-8-methyl-5-(4-methylpiperazin-1-yl)-12-oxa-8,20,23,24-tetrazapentacyclo[17.5.2.12,6.013,18.022,25]heptacosa-1(24),2(27),3,5,13(18),14,16,19,21,25-decaene
CID 172516174
(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91624751
2-[1-(3,4-dichlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridazin-3-one
CID 68558316

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine (CID 68561197) is 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine is CN1CCN(c2ccccc2F)c2ccc(-c3ccncc3)cc2C1.
What is the InChIKey of 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is JCGWXSLUSOASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3/c1-24-12-13-25(21-5-3-2-4-19(21)22)20-7-6-17(14-18(20)15-24)16-8-10-23-11-9-16/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine?
1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 333.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 68561197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).