N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

C17H13F6N7O — CID 170661446

IUPACN-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCc1nnc(C(F)F)cc1NC(=O)N1CC(C)(C(F)(F)F)c2c1cnc1cc(F)nn21
InChIInChI=1S/C17H13F6N7O/c1-7-8(3-9(14(19)20)27-26-7)25-15(31)29-6-16(2,17(21,22)23)13-10(29)5-24-12-4-11(18)28-30(12)13/h3-5,14H,6H2,1-2H3,(H,25,27,31)
InChIKeyFXWVSPBNURYWDI-UHFFFAOYSA-N
MW445.33 g/mol
LogP3.78
Rot. Bonds2

About N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide

N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (PubChem CID 170661446) has the molecular formula C17H13F6N7O and a molecular weight of 445.33 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
PubChem CID170661446
Molecular FormulaC17H13F6N7O
Molecular Weight445.33 g/mol
Exact Mass445.11
IUPAC NameN-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESCc1nnc(C(F)F)cc1NC(=O)N1CC(C)(C(F)(F)F)c2c1cnc1cc(F)nn21
InChIInChI=1S/C17H13F6N7O/c1-7-8(3-9(14(19)20)27-26-7)25-15(31)29-6-16(2,17(21,22)23)13-10(29)5-24-12-4-11(18)28-30(12)13/h3-5,14H,6H2,1-2H3,(H,25,27,31)
InChIKeyFXWVSPBNURYWDI-UHFFFAOYSA-N
XLogP3.78
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-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

11-chloro-N-[2-(difluoromethyl)-6-fluoro-4-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539762
(3R)-11-chloro-N-[6-(difluoromethyl)pyridazin-4-yl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539474
(3R)-11-fluoro-3-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539659
11-fluoro-3-methyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170661530
(3R)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539882
(3R)-N-[6-(azetidine-1-carbonyl)-5-(difluoromethyl)-3-pyridinyl]-3,11-dimethyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156802983
11-bromo-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxylic acid
CID 156540118
(3R)-11-chloro-3-methyl-3-(trifluoromethyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539654
(3R)-11-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539576
(3R)-11-chloro-N-[5-(difluoromethyl)-6-[2-(dimethylamino)-2-oxoethoxy]-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539936
(3R)-N-[2-[(2S)-2-aminopropoxy]-6-methyl-4-pyridinyl]-11-chloro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539363
(3R)-11-chloro-N-[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156540124

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (CID 170661446) is N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is Cc1nnc(C(F)F)cc1NC(=O)N1CC(C)(C(F)(F)F)c2c1cnc1cc(F)nn21.
What is the InChIKey of N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The InChIKey is FXWVSPBNURYWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N7O/c1-7-8(3-9(14(19)20)27-26-7)25-15(31)29-6-16(2,17(21,22)23)13-10(29)5-24-12-4-11(18)28-30(12)13/h3-5,14H,6H2,1-2H3,(H,25,27,31).
What are the key properties of N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide has a molecular weight of 445.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-3-methylpyridazin-4-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is sourced from PubChem (CID 170661446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).