[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone

C23H20F6N4O2 — CID 154616258

IUPAC[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone
SMILESO=C(c1ccc(-c2nccc3c2nc(C(F)(F)F)n3CC(F)F)cc1F)N1CCOCC2(CC2)C1
InChIInChI=1S/C23H20F6N4O2/c24-15-9-13(1-2-14(15)20(34)32-7-8-35-12-22(11-32)4-5-22)18-19-16(3-6-30-18)33(10-17(25)26)21(31-19)23(27,28)29/h1-3,6,9,17H,4-5,7-8,10-12H2
InChIKeyKMYGVVYOXXLDSJ-UHFFFAOYSA-N
MW498.43 g/mol
LogP4.77
Rot. Bonds4

About [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone

[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone (PubChem CID 154616258) has the molecular formula C23H20F6N4O2 and a molecular weight of 498.43 g/mol. Its IUPAC name is [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone.

Molecular Properties

Compound Name[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone
PubChem CID154616258
Molecular FormulaC23H20F6N4O2
Molecular Weight498.43 g/mol
Exact Mass498.15
IUPAC Name[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone
SMILESO=C(c1ccc(-c2nccc3c2nc(C(F)(F)F)n3CC(F)F)cc1F)N1CCOCC2(CC2)C1
InChIInChI=1S/C23H20F6N4O2/c24-15-9-13(1-2-14(15)20(34)32-7-8-35-12-22(11-32)4-5-22)18-19-16(3-6-30-18)33(10-17(25)26)21(31-19)23(27,28)29/h1-3,6,9,17H,4-5,7-8,10-12H2
InChIKeyKMYGVVYOXXLDSJ-UHFFFAOYSA-N
XLogP4.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone?
The IUPAC name of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone (CID 154616258) is [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone.
What is the SMILES notation for [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone?
The canonical SMILES for [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone is O=C(c1ccc(-c2nccc3c2nc(C(F)(F)F)n3CC(F)F)cc1F)N1CCOCC2(CC2)C1.
What is the InChIKey of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone?
The InChIKey is KMYGVVYOXXLDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N4O2/c24-15-9-13(1-2-14(15)20(34)32-7-8-35-12-22(11-32)4-5-22)18-19-16(3-6-30-18)33(10-17(25)26)21(31-19)23(27,28)29/h1-3,6,9,17H,4-5,7-8,10-12H2.
What are the key properties of [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone?
[4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone has a molecular weight of 498.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,2-difluoroethyl)-2-(trifluoromethyl)imidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone is sourced from PubChem (CID 154616258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).