(4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone

C25H20F4N4O — CID 22032222

IUPAC(4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H20F4N4O/c26-18-4-1-15(2-5-18)23(34)16-8-11-33(12-9-16)22-7-10-30-21-6-3-17(13-19(21)22)20-14-31-32-24(20)25(27,28)29/h1-7,10,13-14,16H,8-9,11-12H2,(H,31,32)
InChIKeyARGAUTGXRWBVNQ-UHFFFAOYSA-N
MW468.45 g/mol
LogP5.88
Rot. Bonds4

About (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone (PubChem CID 22032222) has the molecular formula C25H20F4N4O and a molecular weight of 468.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone
PubChem CID22032222
Molecular FormulaC25H20F4N4O
Molecular Weight468.45 g/mol
Exact Mass468.16
IUPAC Name(4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H20F4N4O/c26-18-4-1-15(2-5-18)23(34)16-8-11-33(12-9-16)22-7-10-30-21-6-3-17(13-19(21)22)20-14-31-32-24(20)25(27,28)29/h1-7,10,13-14,16H,8-9,11-12H2,(H,31,32)
InChIKeyARGAUTGXRWBVNQ-UHFFFAOYSA-N
XLogP5.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

c-Met Inhibitor D6808
CID 165437862
1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 51351159
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
CID 11249157
(1H-Indazol-3-yl)(2-{[(quinolin-6-yl)methyl]amino}phenyl)methanone
CID 24905422
3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907143
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907179
1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350683
1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350684
1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1H-indazol-5-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350807
1-(4-fluoro-3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350810

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone (CID 22032222) is (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone?
The InChIKey is ARGAUTGXRWBVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O/c26-18-4-1-15(2-5-18)23(34)16-8-11-33(12-9-16)22-7-10-30-21-6-3-17(13-19(21)22)20-14-31-32-24(20)25(27,28)29/h1-7,10,13-14,16H,8-9,11-12H2,(H,31,32).
What are the key properties of (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone has a molecular weight of 468.45 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 22032222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).