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

C19H21N3O — CID 145094914

IUPAC5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone
SMILESCC1CC(C)(C(=O)N2Cc3cccnc3Nc3ccccc32)C1
InChIInChI=1S/C19H21N3O/c1-13-10-19(2,11-13)18(23)22-12-14-6-5-9-20-17(14)21-15-7-3-4-8-16(15)22/h3-9,13H,10-12H2,1-2H3,(H,20,21)
InChIKeyGRHCWLGGLHHINP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.11
Rot. Bonds1

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

5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone (PubChem CID 145094914) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone.

Molecular Properties

Compound Name5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone
PubChem CID145094914
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone
SMILESCC1CC(C)(C(=O)N2Cc3cccnc3Nc3ccccc32)C1
InChIInChI=1S/C19H21N3O/c1-13-10-19(2,11-13)18(23)22-12-14-6-5-9-20-17(14)21-15-7-3-4-8-16(15)22/h3-9,13H,10-12H2,1-2H3,(H,20,21)
InChIKeyGRHCWLGGLHHINP-UHFFFAOYSA-N
XLogP4.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
CID 59957217
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-(4-hexyl-1-bicyclo[2.2.2]octanyl)methanone
CID 146606652
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
CID 22099746
2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633
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
3-(8-bromo-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclobutan-1-one
CID 121389548
1-[6-(3,3-dimethylcyclobutanecarbonyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]-1,6-diazaspiro[3.3]heptane-6-carbaldehyde
CID 154974443
(3,3-difluoroazetidin-1-yl)-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-ylmethyl)-1-bicyclo[2.2.2]octanyl]methanone
CID 146606663
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711

Frequently Asked Questions

What is the IUPAC name of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone?
The IUPAC name of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone (CID 145094914) is 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone.
What is the SMILES notation for 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone?
The canonical SMILES for 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone is CC1CC(C)(C(=O)N2Cc3cccnc3Nc3ccccc32)C1.
What is the InChIKey of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone?
The InChIKey is GRHCWLGGLHHINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-10-19(2,11-13)18(23)22-12-14-6-5-9-20-17(14)21-15-7-3-4-8-16(15)22/h3-9,13H,10-12H2,1-2H3,(H,20,21).
What are the key properties of 5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone?
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone has a molecular weight of 307.40 g/mol, XLogP of 4.11, 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-(1,3-dimethylcyclobutyl)methanone is sourced from PubChem (CID 145094914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).