N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane

C23H25FN6O2 — CID 164600127

IUPACN-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane
SMILESCC.CC1(C)CC(C(=O)Nc2cnc(OC3CC3)c(C#N)c2)c2cnc3cc(F)nn3c21
InChIInChI=1S/C21H19FN6O2.C2H6/c1-21(2)7-14(15-10-24-17-6-16(22)27-28(17)18(15)21)19(29)26-12-5-11(8-23)20(25-9-12)30-13-3-4-13;1-2/h5-6,9-10,13-14H,3-4,7H2,1-2H3,(H,26,29);1-2H3
InChIKeyWGBCVKDIVYKOMA-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.11
Rot. Bonds4

About N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane

N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane (PubChem CID 164600127) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane.

Molecular Properties

Compound NameN-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane
PubChem CID164600127
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane
SMILESCC.CC1(C)CC(C(=O)Nc2cnc(OC3CC3)c(C#N)c2)c2cnc3cc(F)nn3c21
InChIInChI=1S/C21H19FN6O2.C2H6/c1-21(2)7-14(15-10-24-17-6-16(22)27-28(17)18(15)21)19(29)26-12-5-11(8-23)20(25-9-12)30-13-3-4-13;1-2/h5-6,9-10,13-14H,3-4,7H2,1-2H3,(H,26,29);1-2H3
InChIKeyWGBCVKDIVYKOMA-UHFFFAOYSA-N
XLogP4.11
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane with MolForge

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Related Compounds

(5R)-11-chloro-N-(5-chloro-6-cyclopropyloxy-3-pyridinyl)-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164599989
N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide
CID 164600545
N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-(difluoromethyl)-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane;methane
CID 164600018
(5S)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600367
CID 164600644
CID 164600644
(5S)-N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-10,11-difluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600216
N-[5-cyano-6-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-pyridinyl]-3,3,11-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane
CID 164600264
(5R)-11-chloro-3,3-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600113
3-(difluoromethyl)-5-[(3,3,11-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carbonyl)amino]pyridine-2-carboxylic acid;ethane
CID 164600630
(5R)-11-chloro-N-(5-chloro-6-pyrrolidin-1-yl-3-pyridinyl)-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600331
methyl 5-[(11-chloro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carbonyl)amino]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 164600412
(3S,5S)-11-fluoro-3-methyl-3-(1-methylpyrazol-4-yl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 170741434

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane?
The IUPAC name of N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane (CID 164600127) is N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane.
What is the SMILES notation for N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane?
The canonical SMILES for N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane is CC.CC1(C)CC(C(=O)Nc2cnc(OC3CC3)c(C#N)c2)c2cnc3cc(F)nn3c21.
What is the InChIKey of N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane?
The InChIKey is WGBCVKDIVYKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2.C2H6/c1-21(2)7-14(15-10-24-17-6-16(22)27-28(17)18(15)21)19(29)26-12-5-11(8-23)20(25-9-12)30-13-3-4-13;1-2/h5-6,9-10,13-14H,3-4,7H2,1-2H3,(H,26,29);1-2H3.
What are the key properties of N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane?
N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane has a molecular weight of 436.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-11-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;ethane is sourced from PubChem (CID 164600127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).