5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C21H15F2N5O4S — CID 140960580

IUPAC5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C(=O)C4CC4(F)F)ccc32)S(=O)N1
InChIInChI=1S/C21H15F2N5O4S/c22-21(23)8-14(21)20(30)27-3-4-32-16-6-12(9-24-19(16)27)11-1-2-15-13(5-11)10-25-28(15)18-7-17(29)26-33(18)31/h1-2,5-7,9-10,14H,3-4,8H2,(H,26,29)
InChIKeyWIZIOFGCOBIVKW-UHFFFAOYSA-N
MW471.45 g/mol
LogP2.07
Rot. Bonds3

About 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960580) has the molecular formula C21H15F2N5O4S and a molecular weight of 471.45 g/mol. Its IUPAC name is 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960580
Molecular FormulaC21H15F2N5O4S
Molecular Weight471.45 g/mol
Exact Mass471.08
IUPAC Name5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C(=O)C4CC4(F)F)ccc32)S(=O)N1
InChIInChI=1S/C21H15F2N5O4S/c22-21(23)8-14(21)20(30)27-3-4-32-16-6-12(9-24-19(16)27)11-1-2-15-13(5-11)10-25-28(15)18-7-17(29)26-33(18)31/h1-2,5-7,9-10,14H,3-4,8H2,(H,26,29)
InChIKeyWIZIOFGCOBIVKW-UHFFFAOYSA-N
XLogP2.07
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Related Compounds

N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)indazole-1-carboxamide
CID 118383859
5-[5-[6-(Difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960227
4-amino-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867141
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59619665
1-(1,4-Dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619672
1-(1,4-Dimethylpyrazol-5-yl)-3-methyl-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 59619890
5-[4-Methoxy-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960221
5-[5-(3,3-Dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960230
5-[5-(10-Methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960234
5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960238
5-[5-(4-Cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960271
5-[5-(4,6-Dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960274

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960580) is 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C(=O)C4CC4(F)F)ccc32)S(=O)N1.
What is the InChIKey of 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is WIZIOFGCOBIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O4S/c22-21(23)8-14(21)20(30)27-3-4-32-16-6-12(9-24-19(16)27)11-1-2-15-13(5-11)10-25-28(15)18-7-17(29)26-33(18)31/h1-2,5-7,9-10,14H,3-4,8H2,(H,26,29).
What are the key properties of 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 471.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).