(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

C28H21FN4 — CID 135887506

IUPAC(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESFc1ccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C28H21FN4/c29-21-17-15-20(16-18-21)26-25-27(19-9-3-1-4-10-19)32-33(22-11-5-2-6-12-22)28(25)31-24-14-8-7-13-23(24)30-26/h1-18,26,30-31H/t26-/m1/s1
InChIKeyZEFVFMBSLPLAHJ-AREMUKBSSA-N
MW432.50 g/mol
LogP6.94
Rot. Bonds3

About (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (PubChem CID 135887506) has the molecular formula C28H21FN4 and a molecular weight of 432.50 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
PubChem CID135887506
Molecular FormulaC28H21FN4
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Name(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESFc1ccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C28H21FN4/c29-21-17-15-20(16-18-21)26-25-27(19-9-3-1-4-10-19)32-33(22-11-5-2-6-12-22)28(25)31-24-14-8-7-13-23(24)30-26/h1-18,26,30-31H/t26-/m1/s1
InChIKeyZEFVFMBSLPLAHJ-AREMUKBSSA-N
XLogP6.94
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine with MolForge

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Related Compounds

4-(4-fluorophenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620866
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653312
(4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136920125
4-(4-fluorophenyl)-1-(4-nitrophenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620930
(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 1480140
4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole
CID 134910224
(4S)-3-(4-chlorophenyl)-4-(3-fluorophenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678953
1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine
CID 135493484
(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552
10,12,14-triphenyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaen-8-one
CID 137182846
4-(4-nitrophenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 2900180
(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 164854140

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The IUPAC name of (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (CID 135887506) is (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is Fc1ccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The InChIKey is ZEFVFMBSLPLAHJ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H21FN4/c29-21-17-15-20(16-18-21)26-25-27(19-9-3-1-4-10-19)32-33(22-11-5-2-6-12-22)28(25)31-24-14-8-7-13-23(24)30-26/h1-18,26,30-31H/t26-/m1/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine has a molecular weight of 432.50 g/mol, XLogP of 6.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is sourced from PubChem (CID 135887506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).