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

C21H18F3N5O2 — CID 22619858

IUPAC5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2
InChIInChI=1S/C21H18F3N5O2/c1-12-10-14-7-9-29(16(14)11-15(12)21(22,23)24)20(30)26-18-5-6-19(28-27-18)31-17-4-3-8-25-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,26,27,30)
InChIKeyDIYDTCOAMMYNOV-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.89
Rot. Bonds3

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

5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 22619858) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID22619858
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2
InChIInChI=1S/C21H18F3N5O2/c1-12-10-14-7-9-29(16(14)11-15(12)21(22,23)24)20(30)26-18-5-6-19(28-27-18)31-17-4-3-8-25-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,26,27,30)
InChIKeyDIYDTCOAMMYNOV-UHFFFAOYSA-N
XLogP4.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.89
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-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 22619858) is 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2.
What is the InChIKey of 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is DIYDTCOAMMYNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-12-10-14-7-9-29(16(14)11-15(12)21(22,23)24)20(30)26-18-5-6-19(28-27-18)31-17-4-3-8-25-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,26,27,30).
What are the key properties of 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 429.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]pyridazin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 22619858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).