2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C27H28F3N5 — CID 11554762

IUPAC2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)n1
InChIInChI=1S/C27H28F3N5/c1-17-13-22(27(28,29)30)15-26(32-17)35-19(3)23(16-31-35)25-9-7-21-14-20(6-8-24(21)33-25)10-12-34-11-4-5-18(34)2/h6-9,13-16,18H,4-5,10-12H2,1-3H3/t18-/m1/s1
InChIKeySUZTVAUFNKMZOU-GOSISDBHSA-N
MW479.55 g/mol
LogP6.14
Rot. Bonds5

About 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 11554762) has the molecular formula C27H28F3N5 and a molecular weight of 479.55 g/mol. Its IUPAC name is 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID11554762
Molecular FormulaC27H28F3N5
Molecular Weight479.55 g/mol
Exact Mass479.23
IUPAC Name2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)n1
InChIInChI=1S/C27H28F3N5/c1-17-13-22(27(28,29)30)15-26(32-17)35-19(3)23(16-31-35)25-9-7-21-14-20(6-8-24(21)33-25)10-12-34-11-4-5-18(34)2/h6-9,13-16,18H,4-5,10-12H2,1-3H3/t18-/m1/s1
InChIKeySUZTVAUFNKMZOU-GOSISDBHSA-N
XLogP6.14
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Vebreltinib
CID 72202701
PF-04254644
CID 24871823
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
(R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11647025
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimidin-5-yl)quinoline
CID 11723422
(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 16059780

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 11554762) is 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is Cc1cc(C(F)(F)F)cc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)n1.
What is the InChIKey of 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is SUZTVAUFNKMZOU-GOSISDBHSA-N. The full InChI is InChI=1S/C27H28F3N5/c1-17-13-22(27(28,29)30)15-26(32-17)35-19(3)23(16-31-35)25-9-7-21-14-20(6-8-24(21)33-25)10-12-34-11-4-5-18(34)2/h6-9,13-16,18H,4-5,10-12H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 479.55 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 11554762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).