[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone

C25H22F3N5O — CID 139235108

IUPAC[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-n2nc(C(=O)N3CCCCC3)cc2-c2cccnc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C25H22F3N5O/c1-16-13-22(18-8-5-9-19(23(18)30-16)25(26,27)28)33-21(17-7-6-10-29-15-17)14-20(31-33)24(34)32-11-3-2-4-12-32/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyVGXMURKUNUKUPJ-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.44
Rot. Bonds3

About [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone

[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 139235108) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID139235108
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-n2nc(C(=O)N3CCCCC3)cc2-c2cccnc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C25H22F3N5O/c1-16-13-22(18-8-5-9-19(23(18)30-16)25(26,27)28)33-21(17-7-6-10-29-15-17)14-20(31-33)24(34)32-11-3-2-4-12-32/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyVGXMURKUNUKUPJ-UHFFFAOYSA-N
XLogP5.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone (CID 139235108) is [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone is Cc1cc(-n2nc(C(=O)N3CCCCC3)cc2-c2cccnc2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is VGXMURKUNUKUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-16-13-22(18-8-5-9-19(23(18)30-16)25(26,27)28)33-21(17-7-6-10-29-15-17)14-20(31-33)24(34)32-11-3-2-4-12-32/h5-10,13-15H,2-4,11-12H2,1H3.
What are the key properties of [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 465.48 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 139235108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).