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

C16H8ClF7N6O — CID 156564049

IUPAC11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ncc1F)N1CC(C(F)(F)F)c2c1cnc1cc(Cl)nn21
InChIInChI=1S/C16H8ClF7N6O/c17-11-2-12-26-4-9-13(30(12)28-11)6(15(19,20)21)5-29(9)14(31)27-8-1-10(16(22,23)24)25-3-7(8)18/h1-4,6H,5H2,(H,25,27,31)
InChIKeyWPHAMOLFFNNKME-UHFFFAOYSA-N
MW468.72 g/mol
LogP4.63
Rot. Bonds1

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

11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (PubChem CID 156564049) has the molecular formula C16H8ClF7N6O and a molecular weight of 468.72 g/mol. Its IUPAC name is 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide.

Molecular Properties

Compound Name11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
PubChem CID156564049
Molecular FormulaC16H8ClF7N6O
Molecular Weight468.72 g/mol
Exact Mass468.03
IUPAC Name11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ncc1F)N1CC(C(F)(F)F)c2c1cnc1cc(Cl)nn21
InChIInChI=1S/C16H8ClF7N6O/c17-11-2-12-26-4-9-13(30(12)28-11)6(15(19,20)21)5-29(9)14(31)27-8-1-10(16(22,23)24)25-3-7(8)18/h1-4,6H,5H2,(H,25,27,31)
InChIKeyWPHAMOLFFNNKME-UHFFFAOYSA-N
XLogP4.63
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.72
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide with MolForge

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Related Compounds

11-chloro-N-(1-oxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156563933
11-chloro-N-[5-(difluoromethyl)-6-[4-(1-hydroxyethyl)triazol-2-yl]-3-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane
CID 156803206
1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
CID 159288178
N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]formamide
CID 156802974
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
1-[2-chloro-7-[methoxy(oxan-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 118540155
(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
11-chloro-3-methyl-N-[6-(triazol-1-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 170661443
(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
(3S)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-methoxy-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156563886
(3R)-11-chloro-N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-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 156539418
(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 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-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 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide (CID 156564049) is 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-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 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-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 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide is O=C(Nc1cc(C(F)(F)F)ncc1F)N1CC(C(F)(F)F)c2c1cnc1cc(Cl)nn21.
What is the InChIKey of 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
The InChIKey is WPHAMOLFFNNKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF7N6O/c17-11-2-12-26-4-9-13(30(12)28-11)6(15(19,20)21)5-29(9)14(31)27-8-1-10(16(22,23)24)25-3-7(8)18/h1-4,6H,5H2,(H,25,27,31).
What are the key properties of 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide?
11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-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 468.72 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-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 156564049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).