tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate

C23H20FN3O3S — CID 91355190

IUPACtert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1
InChIInChI=1S/C23H20FN3O3S/c1-23(2,3)30-22(28)27-14-7-8-18(15(24)12-14)29-19-9-11-26-17-13-20(31-21(17)19)16-6-4-5-10-25-16/h4-13H,1-3H3,(H,27,28)
InChIKeyCXZIUDMIJFGYIQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP6.64
Rot. Bonds4

About tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate

tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate (PubChem CID 91355190) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate
PubChem CID91355190
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Nametert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1
InChIInChI=1S/C23H20FN3O3S/c1-23(2,3)30-22(28)27-14-7-8-18(15(24)12-14)29-19-9-11-26-17-13-20(31-21(17)19)16-6-4-5-10-25-16/h4-13H,1-3H3,(H,27,28)
InChIKeyCXZIUDMIJFGYIQ-UHFFFAOYSA-N
XLogP6.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-oxobutanamide
CID 126590262
tert-butyl 4-[2-[4-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]piperazine-1-carboxylate
CID 67440535
N'-[3-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-phenylpropanediamide
CID 56953172
1-cyclopropyl-3-[2,3-difluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
CID 141318353
tert-butyl N-[(2S)-1-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67442183
tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
CID 59588862
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44565221
[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid
CID 66649055
1-cyclopropyl-3-[4-[2-[5-[[4-[3-(dimethylamino)propyl]anilino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea
CID 67442602
N-[[3-fluoro-4-[2-(2-methoxyphenyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
CID 59424683
tert-butyl N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methylsulfonylethyl)carbamate
CID 67442547
2-[3-fluoro-4-[2-[5-[[[3-methoxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyanilino]-3-oxopropanoic acid
CID 141361908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate (CID 91355190) is tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1.
What is the InChIKey of tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate?
The InChIKey is CXZIUDMIJFGYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-23(2,3)30-22(28)27-14-7-8-18(15(24)12-14)29-19-9-11-26-17-13-20(31-21(17)19)16-6-4-5-10-25-16/h4-13H,1-3H3,(H,27,28).
What are the key properties of tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate?
tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate has a molecular weight of 437.50 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-fluoro-4-(2-pyridin-2-ylthieno[3,2-b]pyridin-7-yl)oxyphenyl]carbamate is sourced from PubChem (CID 91355190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).