(6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone

C33H30F3N7O — CID 119098976

IUPAC(6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cnc5ccc(C)cc5c4)CC3)nc2)c1
InChIInChI=1S/C33H30F3N7O/c1-20-3-5-27-23(13-20)16-24(19-38-27)32(44)43-11-8-26(9-12-43)40-29-6-4-22(18-39-29)28-14-21(2)15-31(41-28)42-30-17-25(7-10-37-30)33(34,35)36/h3-7,10,13-19,26H,8-9,11-12H2,1-2H3,(H,39,40)(H,37,41,42)
InChIKeyUYNWPHVFRYSXMF-UHFFFAOYSA-N
MW597.65 g/mol
LogP7.18
Rot. Bonds6

About (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone

(6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 119098976) has the molecular formula C33H30F3N7O and a molecular weight of 597.65 g/mol. Its IUPAC name is (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID119098976
Molecular FormulaC33H30F3N7O
Molecular Weight597.65 g/mol
Exact Mass597.25
IUPAC Name(6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cnc5ccc(C)cc5c4)CC3)nc2)c1
InChIInChI=1S/C33H30F3N7O/c1-20-3-5-27-23(13-20)16-24(19-38-27)32(44)43-11-8-26(9-12-43)40-29-6-4-22(18-39-29)28-14-21(2)15-31(41-28)42-30-17-25(7-10-37-30)33(34,35)36/h3-7,10,13-19,26H,8-9,11-12H2,1-2H3,(H,39,40)(H,37,41,42)
InChIKeyUYNWPHVFRYSXMF-UHFFFAOYSA-N
XLogP7.18
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.65
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 119098976) is (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cnc5ccc(C)cc5c4)CC3)nc2)c1.
What is the InChIKey of (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is UYNWPHVFRYSXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N7O/c1-20-3-5-27-23(13-20)16-24(19-38-27)32(44)43-11-8-26(9-12-43)40-29-6-4-22(18-39-29)28-14-21(2)15-31(41-28)42-30-17-25(7-10-37-30)33(34,35)36/h3-7,10,13-19,26H,8-9,11-12H2,1-2H3,(H,39,40)(H,37,41,42).
What are the key properties of (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
(6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 597.65 g/mol, XLogP of 7.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 119098976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).