12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C24H22F3N3O — CID 2951359

IUPAC12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H22F3N3O/c1-21(2)22(3)11-12-23(21,19-18(22)29-16-9-4-5-10-17(16)30-19)20(31)28-15-8-6-7-14(13-15)24(25,26)27/h4-10,13H,11-12H2,1-3H3,(H,28,31)
InChIKeyKXQIQCTYFATIJT-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.62
Rot. Bonds2

About 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 2951359) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID2951359
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H22F3N3O/c1-21(2)22(3)11-12-23(21,19-18(22)29-16-9-4-5-10-17(16)30-19)20(31)28-15-8-6-7-14(13-15)24(25,26)27/h4-10,13H,11-12H2,1-3H3,(H,28,31)
InChIKeyKXQIQCTYFATIJT-UHFFFAOYSA-N
XLogP5.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Related Compounds

(1R,4S)-N,N,4,11,11-pentamethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 664404
4,11,11-Trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 2947641
(4-methylpiperazin-1-yl)(4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazin-1(2H)-yl)methanone
CID 2951126
4,7,8,11,11-Pentamethyl-3,4-dihydro-2H-1,4-methano-phenazine-1-carboxylic acid dimethylamide
CID 3159358
N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2957793
6,7,12,15,15-pentamethyl-N-propyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 3159359
N,4,7,8,11,11-hexamethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide
CID 2955751
N-(tert-butyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2960184
N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2949857
1,15,15-Trimethyl-12-(pyrrolidine-1-carbonyl)-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene
CID 4047915
N-(2-fluorophenyl)-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide
CID 2973002
12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2959662

Frequently Asked Questions

What is the IUPAC name of 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 2951359) is 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is KXQIQCTYFATIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c1-21(2)22(3)11-12-23(21,19-18(22)29-16-9-4-5-10-17(16)30-19)20(31)28-15-8-6-7-14(13-15)24(25,26)27/h4-10,13H,11-12H2,1-3H3,(H,28,31).
What are the key properties of 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 2951359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).