2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol

C19H19F2N3O2 — CID 163233879

IUPAC2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol
SMILESCOC1CCN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O2/c1-26-15-4-6-23(7-5-15)13-2-3-17-12(8-13)11-22-24(17)14-9-16(20)19(21)18(25)10-14/h2-3,8-11,15,25H,4-7H2,1H3
InChIKeyUTYIUNMWYOZIAT-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.62
Rot. Bonds3

About 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol

2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol (PubChem CID 163233879) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol
PubChem CID163233879
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol
SMILESCOC1CCN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O2/c1-26-15-4-6-23(7-5-15)13-2-3-17-12(8-13)11-22-24(17)14-9-16(20)19(21)18(25)10-14/h2-3,8-11,15,25H,4-7H2,1H3
InChIKeyUTYIUNMWYOZIAT-UHFFFAOYSA-N
XLogP3.62
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol (CID 163233879) is 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol is COC1CCN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1.
What is the InChIKey of 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol?
The InChIKey is UTYIUNMWYOZIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-26-15-4-6-23(7-5-15)13-2-3-17-12(8-13)11-22-24(17)14-9-16(20)19(21)18(25)10-14/h2-3,8-11,15,25H,4-7H2,1H3.
What are the key properties of 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol has a molecular weight of 359.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[5-(4-methoxypiperidin-1-yl)indazol-1-yl]phenol is sourced from PubChem (CID 163233879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).