N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine

C24H22F3N7O2 — CID 59507480

IUPACN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine
SMILESCOc1cccc2ncc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C24H22F3N7O2/c1-35-20-4-2-3-18-15(20)9-14(12-29-18)31-22-11-19(32-23(33-22)34-5-7-36-8-6-34)16-13-30-21(28)10-17(16)24(25,26)27/h2-4,9-13H,5-8H2,1H3,(H2,28,30)(H,31,32,33)
InChIKeyGYKAUISVQARRHJ-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.28
Rot. Bonds5

About N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine (PubChem CID 59507480) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine.

Molecular Properties

Compound NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine
PubChem CID59507480
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine
SMILESCOc1cccc2ncc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C24H22F3N7O2/c1-35-20-4-2-3-18-15(20)9-14(12-29-18)31-22-11-19(32-23(33-22)34-5-7-36-8-6-34)16-13-30-21(28)10-17(16)24(25,26)27/h2-4,9-13H,5-8H2,1H3,(H2,28,30)(H,31,32,33)
InChIKeyGYKAUISVQARRHJ-UHFFFAOYSA-N
XLogP4.28
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine?
The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine (CID 59507480) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine.
What is the SMILES notation for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine?
The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine is COc1cccc2ncc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cc12.
What is the InChIKey of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine?
The InChIKey is GYKAUISVQARRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-35-20-4-2-3-18-15(20)9-14(12-29-18)31-22-11-19(32-23(33-22)34-5-7-36-8-6-34)16-13-30-21(28)10-17(16)24(25,26)27/h2-4,9-13H,5-8H2,1H3,(H2,28,30)(H,31,32,33).
What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine?
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine has a molecular weight of 497.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-methoxyquinolin-3-amine is sourced from PubChem (CID 59507480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).