1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole

C21H17F3N4 — CID 118664780

IUPAC1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(CCC(F)(F)F)n4)cc32)n1
InChIInChI=1S/C21H17F3N4/c1-14-4-2-7-20(26-14)28-19-12-15(8-9-16(19)13-25-28)18-6-3-5-17(27-18)10-11-21(22,23)24/h2-9,12-13H,10-11H2,1H3
InChIKeyXONYMGTVXUTFTC-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.29
Rot. Bonds4

About 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole

1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole (PubChem CID 118664780) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole
PubChem CID118664780
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(CCC(F)(F)F)n4)cc32)n1
InChIInChI=1S/C21H17F3N4/c1-14-4-2-7-20(26-14)28-19-12-15(8-9-16(19)13-25-28)18-6-3-5-17(27-18)10-11-21(22,23)24/h2-9,12-13H,10-11H2,1H3
InChIKeyXONYMGTVXUTFTC-UHFFFAOYSA-N
XLogP5.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole (CID 118664780) is 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole is Cc1cccc(-n2ncc3ccc(-c4cccc(CCC(F)(F)F)n4)cc32)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole?
The InChIKey is XONYMGTVXUTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4/c1-14-4-2-7-20(26-14)28-19-12-15(8-9-16(19)13-25-28)18-6-3-5-17(27-18)10-11-21(22,23)24/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole?
1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole has a molecular weight of 382.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-6-[6-(3,3,3-trifluoropropyl)-2-pyridinyl]indazole is sourced from PubChem (CID 118664780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).