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

C23H22N6O2 — CID 130338891

IUPACN-(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
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21
InChIInChI=1S/C23H22N6O2/c1-23(2)14-24-22(31)19-10-16-8-9-18(27-20(16)29(19)23)21(30)26-17-11-25-28(13-17)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyCQGRDQGSCCRACV-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.01
Rot. Bonds4

About 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

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 (PubChem CID 130338891) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID130338891
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-(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
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21
InChIInChI=1S/C23H22N6O2/c1-23(2)14-24-22(31)19-10-16-8-9-18(27-20(16)29(19)23)21(30)26-17-11-25-28(13-17)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,24,31)(H,26,30)
InChIKeyCQGRDQGSCCRACV-UHFFFAOYSA-N
XLogP3.01
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
(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)-13-methyl-10-oxo-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-4-carboxamide
CID 130338866
(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
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
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)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134712672
(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 7770311
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
(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
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167865040

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21.
What is the InChIKey of 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?
The InChIKey is CQGRDQGSCCRACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-23(2)14-24-22(31)19-10-16-8-9-18(27-20(16)29(19)23)21(30)26-17-11-25-28(13-17)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,24,31)(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 414.47 g/mol, XLogP of 3.01, 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)-13,13-dimethyl-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 130338891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).