tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate

C18H19FN4O3 — CID 166543796

IUPACtert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C18H19FN4O3/c1-11-14(25-12-7-8-23-15(9-12)20-10-21-23)6-5-13(16(11)19)22-17(24)26-18(2,3)4/h5-10H,1-4H3,(H,22,24)
InChIKeyLXMWHFDVACYDAI-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.32
Rot. Bonds3

About tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate

tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate (PubChem CID 166543796) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate
PubChem CID166543796
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Nametert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C18H19FN4O3/c1-11-14(25-12-7-8-23-15(9-12)20-10-21-23)6-5-13(16(11)19)22-17(24)26-18(2,3)4/h5-10H,1-4H3,(H,22,24)
InChIKeyLXMWHFDVACYDAI-UHFFFAOYSA-N
XLogP4.32
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-N'-methyl-5-(methylideneamino)-2-methylsulfanylpyrimidine-4-carboximidamide
CID 175619075
1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
CID 166029198
N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine
CID 167269797
7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 123894811
1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]sulfanylpiperidin-1-yl]prop-2-en-1-one
CID 166544347
3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 165144923
1-[8-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]but-2-yn-1-one
CID 166544275
tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
CID 160959566
tert-butyl N-[2-(3,4-difluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169249145
tert-butyl N-[1-[[6-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]carbamate
CID 146249312
(3R)-1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3-methylpyrrolidin-3-ol
CID 167318540
tert-butyl N-[(3R,4R)-3-fluoro-1-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]carbamate
CID 160845575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate (CID 166543796) is tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate is Cc1c(Oc2ccn3ncnc3c2)ccc(NC(=O)OC(C)(C)C)c1F.
What is the InChIKey of tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate?
The InChIKey is LXMWHFDVACYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-11-14(25-12-7-8-23-15(9-12)20-10-21-23)6-5-13(16(11)19)22-17(24)26-18(2,3)4/h5-10H,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate?
tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate has a molecular weight of 358.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate is sourced from PubChem (CID 166543796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).