5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C21H18F3N5O2 — CID 12017598

IUPAC5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2
InChIInChI=1S/C21H18F3N5O2/c1-13-10-14-7-9-29(17(14)11-16(13)21(22,23)24)20(30)26-18-5-6-19(28-27-18)31-12-15-4-2-3-8-25-15/h2-6,8,10-11H,7,9,12H2,1H3,(H,26,27,30)
InChIKeyNJVYDCOGBBSARM-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.37
Rot. Bonds4

About 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 12017598) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID12017598
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2
InChIInChI=1S/C21H18F3N5O2/c1-13-10-14-7-9-29(17(14)11-16(13)21(22,23)24)20(30)26-18-5-6-19(28-27-18)31-12-15-4-2-3-8-25-15/h2-6,8,10-11H,7,9,12H2,1H3,(H,26,27,30)
InChIKeyNJVYDCOGBBSARM-UHFFFAOYSA-N
XLogP4.37
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 12017598) is 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nn1)CC2.
What is the InChIKey of 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is NJVYDCOGBBSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-13-10-14-7-9-29(17(14)11-16(13)21(22,23)24)20(30)26-18-5-6-19(28-27-18)31-12-15-4-2-3-8-25-15/h2-6,8,10-11H,7,9,12H2,1H3,(H,26,27,30).
What are the key properties of 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 429.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 12017598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).