2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one

C22H15F3N4O — CID 118663981

IUPAC2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-5-2-6-20(28-19)29-17-11-14(7-8-15(17)12-26-29)16-10-9-13-3-1-4-18(30)21(13)27-16/h2,5-12H,1,3-4H2
InChIKeyCRSLRHNJAYCANC-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.02
Rot. Bonds2

About 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one

2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one (PubChem CID 118663981) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one
PubChem CID118663981
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-5-2-6-20(28-19)29-17-11-14(7-8-15(17)12-26-29)16-10-9-13-3-1-4-18(30)21(13)27-16/h2,5-12H,1,3-4H2
InChIKeyCRSLRHNJAYCANC-UHFFFAOYSA-N
XLogP5.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one (CID 118663981) is 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one is O=C1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21.
What is the InChIKey of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?
The InChIKey is CRSLRHNJAYCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)19-5-2-6-20(28-19)29-17-11-14(7-8-15(17)12-26-29)16-10-9-13-3-1-4-18(30)21(13)27-16/h2,5-12H,1,3-4H2.
What are the key properties of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?
2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 408.38 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 118663981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).