2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one

C21H13F3N4O — CID 118664535

IUPAC2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one
SMILESO=C1CCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)18-2-1-3-19(27-18)28-16-10-13(4-5-14(16)11-25-28)15-8-6-12-7-9-17(29)20(12)26-15/h1-6,8,10-11H,7,9H2
InChIKeyFPBNVIHWUBYUEX-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.63
Rot. Bonds2

About 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one

2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one (PubChem CID 118664535) has the molecular formula C21H13F3N4O and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one.

Molecular Properties

Compound Name2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one
PubChem CID118664535
Molecular FormulaC21H13F3N4O
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC Name2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one
SMILESO=C1CCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21
InChIInChI=1S/C21H13F3N4O/c22-21(23,24)18-2-1-3-19(27-18)28-16-10-13(4-5-14(16)11-25-28)15-8-6-12-7-9-17(29)20(12)26-15/h1-6,8,10-11H,7,9H2
InChIKeyFPBNVIHWUBYUEX-UHFFFAOYSA-N
XLogP4.63
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.63
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]-5,6-dihydrocyclopenta[b]pyridin-7-one?
The IUPAC name of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one (CID 118664535) is 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one.
What is the SMILES notation for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one?
The canonical SMILES for 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one is O=C1CCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21.
What is the InChIKey of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one?
The InChIKey is FPBNVIHWUBYUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O/c22-21(23,24)18-2-1-3-19(27-18)28-16-10-13(4-5-14(16)11-25-28)15-8-6-12-7-9-17(29)20(12)26-15/h1-6,8,10-11H,7,9H2.
What are the key properties of 2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one?
2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one has a molecular weight of 394.36 g/mol, XLogP of 4.63, 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]-5,6-dihydrocyclopenta[b]pyridin-7-one is sourced from PubChem (CID 118664535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).