methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C18H15FN4O3 — CID 20824932

IUPACmethyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
InChIInChI=1S/C18H15FN4O3/c1-9-6-11-13(22-9)4-5-14(15(11)19)26-17-16-10(2)12(18(24)25-3)7-23(16)21-8-20-17/h4-8,22H,1-3H3
InChIKeyAFKKJZFFHJDMMZ-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.55
Rot. Bonds3

About methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 20824932) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID20824932
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Namemethyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCOC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
InChIInChI=1S/C18H15FN4O3/c1-9-6-11-13(22-9)4-5-14(15(11)19)26-17-16-10(2)12(18(24)25-3)7-23(16)21-8-20-17/h4-8,22H,1-3H3
InChIKeyAFKKJZFFHJDMMZ-UHFFFAOYSA-N
XLogP3.55
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 20824932) is methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C.
What is the InChIKey of methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is AFKKJZFFHJDMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-9-6-11-13(22-9)4-5-14(15(11)19)26-17-16-10(2)12(18(24)25-3)7-23(16)21-8-20-17/h4-8,22H,1-3H3.
What are the key properties of methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 354.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 20824932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).