5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C20H17N5O3S — CID 140960304

IUPAC5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCC4CCCN54)ccc32)S(=O)N1
InChIInChI=1S/C20H17N5O3S/c26-18-8-19(29(27)23-18)25-16-4-3-12(6-14(16)10-22-25)13-7-17-20(21-9-13)24-5-1-2-15(24)11-28-17/h3-4,6-10,15H,1-2,5,11H2,(H,23,26)
InChIKeyXULKCSFBGGVKKA-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.05
Rot. Bonds2

About 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960304) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960304
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCC4CCCN54)ccc32)S(=O)N1
InChIInChI=1S/C20H17N5O3S/c26-18-8-19(29(27)23-18)25-16-4-3-12(6-14(16)10-22-25)13-7-17-20(21-9-13)24-5-1-2-15(24)11-28-17/h3-4,6-10,15H,1-2,5,11H2,(H,23,26)
InChIKeyXULKCSFBGGVKKA-UHFFFAOYSA-N
XLogP2.05
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Related Compounds

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US10457677, Example 113
CID 134325514
US10457677, Example 204
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US10457677, Example 206
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US11247990, Example 130
CID 138715026
1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(6-methyl-5-(propan-2-yloxy)pyridin-3-yl)-1H,2H,3H-imidazo(4,5-c)quinolin-2-one
CID 59620037
2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide
CID 134805800
4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline
CID 46865481
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-8-[5-(2-fluoro-ethoxy)-pyridin-3-yl]-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59619767
4-[[1-([1,2,4]Triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-6-(trifluoromethyl)quinoline
CID 66995684
3-Fluoro-4-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyaniline
CID 118197704
1-[5-(2-Aminopropoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325599

Frequently Asked Questions

What is the IUPAC name of 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960304) is 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCC4CCCN54)ccc32)S(=O)N1.
What is the InChIKey of 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is XULKCSFBGGVKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c26-18-8-19(29(27)23-18)25-16-4-3-12(6-14(16)10-22-25)13-7-17-20(21-9-13)24-5-1-2-15(24)11-28-17/h3-4,6-10,15H,1-2,5,11H2,(H,23,26).
What are the key properties of 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 407.46 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).