5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C19H15F2N5O2S — CID 140960429

IUPAC5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4ccc(N5CCC(F)(F)C5)nc4)ccc32)S(=O)N1
InChIInChI=1S/C19H15F2N5O2S/c20-19(21)5-6-25(11-19)16-4-2-13(9-22-16)12-1-3-15-14(7-12)10-23-26(15)18-8-17(27)24-29(18)28/h1-4,7-10H,5-6,11H2,(H,24,27)
InChIKeyDWMYHGIXZXIIPE-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.54
Rot. Bonds3

About 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960429) has the molecular formula C19H15F2N5O2S and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960429
Molecular FormulaC19H15F2N5O2S
Molecular Weight415.43 g/mol
Exact Mass415.09
IUPAC Name5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4ccc(N5CCC(F)(F)C5)nc4)ccc32)S(=O)N1
InChIInChI=1S/C19H15F2N5O2S/c20-19(21)5-6-25(11-19)16-4-2-13(9-22-16)12-1-3-15-14(7-12)10-23-26(15)18-8-17(27)24-29(18)28/h1-4,7-10H,5-6,11H2,(H,24,27)
InChIKeyDWMYHGIXZXIIPE-UHFFFAOYSA-N
XLogP2.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960429) is 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(n2ncc3cc(-c4ccc(N5CCC(F)(F)C5)nc4)ccc32)S(=O)N1.
What is the InChIKey of 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is DWMYHGIXZXIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2S/c20-19(21)5-6-25(11-19)16-4-2-13(9-22-16)12-1-3-15-14(7-12)10-23-26(15)18-8-17(27)24-29(18)28/h1-4,7-10H,5-6,11H2,(H,24,27).
What are the key properties of 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 415.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).