1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone

C20H13F3N4O — CID 118664466

IUPAC1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H13F3N4O/c1-12(28)15-4-2-5-16(25-15)13-8-9-14-11-24-27(17(14)10-13)19-7-3-6-18(26-19)20(21,22)23/h2-11H,1H3
InChIKeyOAMFRVVLBDGCJI-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.70
Rot. Bonds3

About 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone

1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 118664466) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID118664466
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H13F3N4O/c1-12(28)15-4-2-5-16(25-15)13-8-9-14-11-24-27(17(14)10-13)19-7-3-6-18(26-19)20(21,22)23/h2-11H,1H3
InChIKeyOAMFRVVLBDGCJI-UHFFFAOYSA-N
XLogP4.70
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone (CID 118664466) is 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is OAMFRVVLBDGCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c1-12(28)15-4-2-5-16(25-15)13-8-9-14-11-24-27(17(14)10-13)19-7-3-6-18(26-19)20(21,22)23/h2-11H,1H3.
What are the key properties of 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 382.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 118664466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).