N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C23H19F3N6O3S — CID 10217973

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)cnc23)cc1)N1CCOCC1
InChIInChI=1S/C23H19F3N6O3S/c24-23(25,26)18-2-1-7-27-20(18)15-12-19-21(28-13-15)22(30-14-29-19)31-16-3-5-17(6-4-16)36(33,34)32-8-10-35-11-9-32/h1-7,12-14H,8-11H2,(H,29,30,31)
InChIKeyKWZIXNKQMWBUIJ-UHFFFAOYSA-N
MW516.51 g/mol
LogP3.87
Rot. Bonds5

About N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 10217973) has the molecular formula C23H19F3N6O3S and a molecular weight of 516.51 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID10217973
Molecular FormulaC23H19F3N6O3S
Molecular Weight516.51 g/mol
Exact Mass516.12
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)cnc23)cc1)N1CCOCC1
InChIInChI=1S/C23H19F3N6O3S/c24-23(25,26)18-2-1-7-27-20(18)15-12-19-21(28-13-15)22(30-14-29-19)31-16-3-5-17(6-4-16)36(33,34)32-8-10-35-11-9-32/h1-7,12-14H,8-11H2,(H,29,30,31)
InChIKeyKWZIXNKQMWBUIJ-UHFFFAOYSA-N
XLogP3.87
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 174467108
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537181
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 22030189
N-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 10152863
N-[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537186
N-[4-tert-butyl-3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030443
2-(oxan-4-yloxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24783148
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 11672343
N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
CID 10288340
N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 141276032
1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51699864
2-[(3-methylpiperidin-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537167

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 10217973) is N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is O=S(=O)(c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)cnc23)cc1)N1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is KWZIXNKQMWBUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3S/c24-23(25,26)18-2-1-7-27-20(18)15-12-19-21(28-13-15)22(30-14-29-19)31-16-3-5-17(6-4-16)36(33,34)32-8-10-35-11-9-32/h1-7,12-14H,8-11H2,(H,29,30,31).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 516.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10217973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).