(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone

C24H20F3N5O3 — CID 77105776

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1c(-n2nccn2)ccc(CO)c1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F3N5O3/c25-22-16(14-33)5-7-18(32-28-10-11-29-32)21(22)23(34)31-12-9-24(26,27)19(13-31)35-20-8-6-15-3-1-2-4-17(15)30-20/h1-8,10-11,19,33H,9,12-14H2
InChIKeyAIDUMMYWSKNGJX-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.38
Rot. Bonds5

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone (PubChem CID 77105776) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone
PubChem CID77105776
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1c(-n2nccn2)ccc(CO)c1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F3N5O3/c25-22-16(14-33)5-7-18(32-28-10-11-29-32)21(22)23(34)31-12-9-24(26,27)19(13-31)35-20-8-6-15-3-1-2-4-17(15)30-20/h1-8,10-11,19,33H,9,12-14H2
InChIKeyAIDUMMYWSKNGJX-UHFFFAOYSA-N
XLogP3.38
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone
CID 90284734
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-b]pyridazin-2-ylmethanone
CID 90286456
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 134134612
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 134139865
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indol-3-yl)methanone
CID 123303137
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-(5-methyltetrazol-2-yl)phenyl]methanone
CID 123277861
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 90298436
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-8-yl)methanone
CID 90298302
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 118496768
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 123984379
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone
CID 77105583
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrazolo[4,5-c]pyridin-4-yl)methanone
CID 90298332

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone (CID 77105776) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone is O=C(c1c(-n2nccn2)ccc(CO)c1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone?
The InChIKey is AIDUMMYWSKNGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c25-22-16(14-33)5-7-18(32-28-10-11-29-32)21(22)23(34)31-12-9-24(26,27)19(13-31)35-20-8-6-15-3-1-2-4-17(15)30-20/h1-8,10-11,19,33H,9,12-14H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone has a molecular weight of 483.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 77105776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).