1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid

C19H17F3N4O2 — CID 22032033

IUPAC1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-14(10-24-25-17)12-1-2-15-13(9-12)16(3-6-23-15)26-7-4-11(5-8-26)18(27)28/h1-3,6,9-11H,4-5,7-8H2,(H,24,25)(H,27,28)
InChIKeyUHXUEDKCJXYWAP-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.94
Rot. Bonds3

About 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid

1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid (PubChem CID 22032033) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid
PubChem CID22032033
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-14(10-24-25-17)12-1-2-15-13(9-12)16(3-6-23-15)26-7-4-11(5-8-26)18(27)28/h1-3,6,9-11H,4-5,7-8H2,(H,24,25)(H,27,28)
InChIKeyUHXUEDKCJXYWAP-UHFFFAOYSA-N
XLogP3.94
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid (CID 22032033) is 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1.
What is the InChIKey of 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is UHXUEDKCJXYWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)17-14(10-24-25-17)12-1-2-15-13(9-12)16(3-6-23-15)26-7-4-11(5-8-26)18(27)28/h1-3,6,9-11H,4-5,7-8H2,(H,24,25)(H,27,28).
What are the key properties of 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid?
1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 390.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22032033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).