N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C22H20N6O2 — CID 75982905

IUPACN-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21
InChIInChI=1S/C22H20N6O2/c1-14-10-23-22(30)19-9-16-7-8-18(26-20(16)28(14)19)21(29)25-17-11-24-27(13-17)12-15-5-3-2-4-6-15/h2-9,11,13-14H,10,12H2,1H3,(H,23,30)(H,25,29)
InChIKeyGRKDQSJJVVIXFN-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.84
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 75982905) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID75982905
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21
InChIInChI=1S/C22H20N6O2/c1-14-10-23-22(30)19-9-16-7-8-18(26-20(16)28(14)19)21(29)25-17-11-24-27(13-17)12-15-5-3-2-4-6-15/h2-9,11,13-14H,10,12H2,1H3,(H,23,30)(H,25,29)
InChIKeyGRKDQSJJVVIXFN-UHFFFAOYSA-N
XLogP2.84
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-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

(13R)-N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-4-carboxamide
CID 130338866
(12S,13R)-N-(1-benzylpyrazol-4-yl)-12,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 67238926
(13R)-N-(1-benzylpyrazol-4-yl)-8-chloro-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338870
1-benzyl-N-(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrazole-4-carboxamide
CID 145352880
N-(1-benzylpyrazol-4-yl)-13,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338891
(13R)-N-[1-[[4-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1-oxo-3H-isoindol-5-yl]methylamino]phenyl]methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 172610746
1-[(3-aminophenyl)methyl]-N-[(13R)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl]pyrazole-4-carboxamide
CID 130338876
bis(1-[(4-aminophenyl)methyl]-N-[(13R)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl]pyrazole-4-carboxamide);dihydrochloride
CID 158731702
N-(2-carbamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130361739
2-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-1-[(13R)-13-methyl-10-methylidene-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl]ethanone
CID 165010325
N-(5-benzyl-1,2-oxazol-3-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
CID 162153009
(13R)-N-(4-cyclopropyl-2-sulfamoylphenyl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 167432876

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 75982905) is N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is GRKDQSJJVVIXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-10-23-22(30)19-9-16-7-8-18(26-20(16)28(14)19)21(29)25-17-11-24-27(13-17)12-15-5-3-2-4-6-15/h2-9,11,13-14H,10,12H2,1H3,(H,23,30)(H,25,29).
What are the key properties of N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 75982905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).