N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide

C30H27FN6O3 — CID 11671067

IUPACN-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1CNC(=O)N1CC(=O)N(C)c2cccc(F)c21
InChIInChI=1S/C30H27FN6O3/c1-19-14-20(29(39)35-17-23-12-13-33-37(23)16-22-6-3-4-8-25(22)35)10-11-21(19)15-32-30(40)36-18-27(38)34(2)26-9-5-7-24(31)28(26)36/h3-14H,15-18H2,1-2H3,(H,32,40)
InChIKeyVXYSNVYMTOLJCL-UHFFFAOYSA-N
MW538.58 g/mol
LogP4.23
Rot. Bonds3

About N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide

N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 11671067) has the molecular formula C30H27FN6O3 and a molecular weight of 538.58 g/mol. Its IUPAC name is N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID11671067
Molecular FormulaC30H27FN6O3
Molecular Weight538.58 g/mol
Exact Mass538.21
IUPAC NameN-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1CNC(=O)N1CC(=O)N(C)c2cccc(F)c21
InChIInChI=1S/C30H27FN6O3/c1-19-14-20(29(39)35-17-23-12-13-33-37(23)16-22-6-3-4-8-25(22)35)10-11-21(19)15-32-30(40)36-18-27(38)34(2)26-9-5-7-24(31)28(26)36/h3-14H,15-18H2,1-2H3,(H,32,40)
InChIKeyVXYSNVYMTOLJCL-UHFFFAOYSA-N
XLogP4.23
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide 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-(6-glycyl-2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393697
3-(2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-2-phenyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxamide
CID 118393706
3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 118411454
N-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]-2-phenylbenzamide
CID 135916059
1,1-Dimethyl-3-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]urea
CID 135916061
N-[4-methyl-3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]phenyl]-4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 137641159
N,N-dimethyl-2-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoylamino]acetamide
CID 145970269
7-[[4-(1-acetylpyrazol-3-yl)benzoyl]amino]-N-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162643668
N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162646040
N-methyl-7-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162666305
N-methyl-7-[[4-(1-methylpyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162671507
N-methyl-7-[[3-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162672459

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide (CID 11671067) is N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide is Cc1cc(C(=O)N2Cc3ccnn3Cc3ccccc32)ccc1CNC(=O)N1CC(=O)N(C)c2cccc(F)c21.
What is the InChIKey of N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is VXYSNVYMTOLJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O3/c1-19-14-20(29(39)35-17-23-12-13-33-37(23)16-22-6-3-4-8-25(22)35)10-11-21(19)15-32-30(40)36-18-27(38)34(2)26-9-5-7-24(31)28(26)36/h3-14H,15-18H2,1-2H3,(H,32,40).
What are the key properties of N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 538.58 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 11671067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).