5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone

C19H14FN3O — CID 59957217

IUPAC5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2cccnc2Nc2ccccc21
InChIInChI=1S/C19H14FN3O/c20-15-9-7-13(8-10-15)19(24)23-12-14-4-3-11-21-18(14)22-16-5-1-2-6-17(16)23/h1-11H,12H2,(H,21,22)
InChIKeyVCHSHTOACGDLOU-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.12
Rot. Bonds1

About 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone

5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone (PubChem CID 59957217) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
PubChem CID59957217
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2cccnc2Nc2ccccc21
InChIInChI=1S/C19H14FN3O/c20-15-9-7-13(8-10-15)19(24)23-12-14-4-3-11-21-18(14)22-16-5-1-2-6-17(16)23/h1-11H,12H2,(H,21,22)
InChIKeyVCHSHTOACGDLOU-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571
1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone
CID 121383142
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone
CID 145094914
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
CID 22099746
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
CID 149150179
N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
CID 22099999
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-hexyl-1-bicyclo[2.2.2]octanyl)methanone
CID 146606652
N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
CID 22099623
sodium;[4-(3-tert-butylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone;hydride
CID 160950510
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 22099762

Frequently Asked Questions

What is the IUPAC name of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone?
The IUPAC name of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone (CID 59957217) is 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1Cc2cccnc2Nc2ccccc21.
What is the InChIKey of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone?
The InChIKey is VCHSHTOACGDLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-15-9-7-13(8-10-15)19(24)23-12-14-4-3-11-21-18(14)22-16-5-1-2-6-17(16)23/h1-11H,12H2,(H,21,22).
What are the key properties of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone?
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone has a molecular weight of 319.34 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 59957217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).