[6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone

C16H13F2N3O3 — CID 59769739

IUPAC[6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)c3ccc(C(F)(F)CO)nc3)n[nH]c2c1
InChIInChI=1S/C16H13F2N3O3/c1-24-10-3-4-11-12(6-10)20-21-14(11)15(23)9-2-5-13(19-7-9)16(17,18)8-22/h2-7,22H,8H2,1H3,(H,20,21)
InChIKeyJIJMOGYKYCZIQE-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.28
Rot. Bonds5

About [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone

[6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone (PubChem CID 59769739) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone
PubChem CID59769739
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name[6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)c3ccc(C(F)(F)CO)nc3)n[nH]c2c1
InChIInChI=1S/C16H13F2N3O3/c1-24-10-3-4-11-12(6-10)20-21-14(11)15(23)9-2-5-13(19-7-9)16(17,18)8-22/h2-7,22H,8H2,1H3,(H,20,21)
InChIKeyJIJMOGYKYCZIQE-UHFFFAOYSA-N
XLogP2.28
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone?
The IUPAC name of [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone (CID 59769739) is [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone.
What is the SMILES notation for [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone?
The canonical SMILES for [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone is COc1ccc2c(C(=O)c3ccc(C(F)(F)CO)nc3)n[nH]c2c1.
What is the InChIKey of [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone?
The InChIKey is JIJMOGYKYCZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c1-24-10-3-4-11-12(6-10)20-21-14(11)15(23)9-2-5-13(19-7-9)16(17,18)8-22/h2-7,22H,8H2,1H3,(H,20,21).
What are the key properties of [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone?
[6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone has a molecular weight of 333.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-difluoro-2-hydroxyethyl)-3-pyridinyl]-(6-methoxy-1H-indazol-3-yl)methanone is sourced from PubChem (CID 59769739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).