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

C26H24F3N5O — CID 139235109

IUPAC(4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCc1cc(-n2nc(C(=O)N3CCC(C)CC3)cc2-c2cccnc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C26H24F3N5O/c1-16-8-11-33(12-9-16)25(35)21-14-22(18-5-4-10-30-15-18)34(32-21)23-13-17(2)31-24-19(23)6-3-7-20(24)26(27,28)29/h3-7,10,13-16H,8-9,11-12H2,1-2H3
InChIKeyLIWAPEKUFSTSRM-UHFFFAOYSA-N
MW479.51 g/mol
LogP5.68
Rot. Bonds3

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

(4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone (PubChem CID 139235109) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone
PubChem CID139235109
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name(4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCc1cc(-n2nc(C(=O)N3CCC(C)CC3)cc2-c2cccnc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C26H24F3N5O/c1-16-8-11-33(12-9-16)25(35)21-14-22(18-5-4-10-30-15-18)34(32-21)23-13-17(2)31-24-19(23)6-3-7-20(24)26(27,28)29/h3-7,10,13-16H,8-9,11-12H2,1-2H3
InChIKeyLIWAPEKUFSTSRM-UHFFFAOYSA-N
XLogP5.68
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone (CID 139235109) is (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone is Cc1cc(-n2nc(C(=O)N3CCC(C)CC3)cc2-c2cccnc2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone?
The InChIKey is LIWAPEKUFSTSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c1-16-8-11-33(12-9-16)25(35)21-14-22(18-5-4-10-30-15-18)34(32-21)23-13-17(2)31-24-19(23)6-3-7-20(24)26(27,28)29/h3-7,10,13-16H,8-9,11-12H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone?
(4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone has a molecular weight of 479.51 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-5-pyridin-3-ylpyrazol-3-yl]methanone is sourced from PubChem (CID 139235109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).