4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide

C20H18N4O2 — CID 57470776

IUPAC4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide
SMILESCc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1C(N)=O
InChIInChI=1S/C20H18N4O2/c1-13-10-14(6-7-17(13)19(21)25)20(26)23-12-16-8-9-22-24(16)11-15-4-2-3-5-18(15)23/h2-10H,11-12H2,1H3,(H2,21,25)
InChIKeyAPTCITBLBCOFSR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.50
Rot. Bonds2

About 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide

4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide (PubChem CID 57470776) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide
PubChem CID57470776
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide
SMILESCc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1C(N)=O
InChIInChI=1S/C20H18N4O2/c1-13-10-14(6-7-17(13)19(21)25)20(26)23-12-16-8-9-22-24(16)11-15-4-2-3-5-18(15)23/h2-10H,11-12H2,1H3,(H2,21,25)
InChIKeyAPTCITBLBCOFSR-UHFFFAOYSA-N
XLogP2.50
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide 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-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide
CID 118021720
4-[[4-fluoro-3-(2-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 76684090
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
10,11-Dihydro-10-[4-(2-methylphenyl)benzoyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 10156521
3-[8-(2,4-Difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide
CID 46182956
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377
9'-(6-Fluoro-3-pyridinyl)-2'-(methoxymethyl)-5'-methylspiro[cyclopropane-1,6'-pyrazolo[3,4-d][2]benzazepine]-4'-one
CID 142469564
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]benzamide
CID 168271255
2-(1,5-Dimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 545069
Cxd-101
CID 16225380
2-benzyl-N-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 56761670

Frequently Asked Questions

What is the IUPAC name of 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide?
The IUPAC name of 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide (CID 57470776) is 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide.
What is the SMILES notation for 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide?
The canonical SMILES for 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide is Cc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1C(N)=O.
What is the InChIKey of 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide?
The InChIKey is APTCITBLBCOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-10-14(6-7-17(13)19(21)25)20(26)23-12-16-8-9-22-24(16)11-15-4-2-3-5-18(15)23/h2-10H,11-12H2,1H3,(H2,21,25).
What are the key properties of 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide?
4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide is sourced from PubChem (CID 57470776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).