5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine

C60H60F4N16O8 — CID 163946038

IUPAC5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)c(O[C@@H]4CCN(C)CC4(F)F)c23)ccc1Oc1cc2ncnn2cn1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)c(O[C@H]4CCN(C)CC4(F)F)c23)ccc1Oc1cc2ncnn2cn1
InChIInChI=1S/2C30H30F2N8O4/c2*1-18-11-19(3-5-22(18)43-26-12-25-34-16-37-40(25)17-36-26)38-29-27-21(33-15-35-29)4-6-23(42-20-8-10-41-13-20)28(27)44-24-7-9-39(2)14-30(24,31)32/h2*3-6,11-12,15-17,20,24H,7-10,13-14H2,1-2H3,(H,33,35,38)/t20-,24+;20-,24-/m00/s1
InChIKeyRVDIJHDLHNFGIF-WVPOSKGVSA-N
MW1209.24 g/mol
LogP9.60
Rot. Bonds16

About 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine

5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine (PubChem CID 163946038) has the molecular formula C60H60F4N16O8 and a molecular weight of 1209.24 g/mol. Its IUPAC name is 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound Name5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
PubChem CID163946038
Molecular FormulaC60H60F4N16O8
Molecular Weight1209.24 g/mol
Exact Mass1208.47
IUPAC Name5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)c(O[C@@H]4CCN(C)CC4(F)F)c23)ccc1Oc1cc2ncnn2cn1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)c(O[C@H]4CCN(C)CC4(F)F)c23)ccc1Oc1cc2ncnn2cn1
InChIInChI=1S/2C30H30F2N8O4/c2*1-18-11-19(3-5-22(18)43-26-12-25-34-16-37-40(25)17-36-26)38-29-27-21(33-15-35-29)4-6-23(42-20-8-10-41-13-20)28(27)44-24-7-9-39(2)14-30(24,31)32/h2*3-6,11-12,15-17,20,24H,7-10,13-14H2,1-2H3,(H,33,35,38)/t20-,24+;20-,24-/m00/s1
InChIKeyRVDIJHDLHNFGIF-WVPOSKGVSA-N
XLogP9.60
TPSA242.10 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.24
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine with MolForge

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Related Compounds

Bizrolertinib
CID 146448634
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146240642
5-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146240651
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-(oxolan-3-yloxy)quinazolin-4-amine
CID 146240741
5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146240742
5-[[(1S,5R)-8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146240745
Her2-IN-7
CID 146241231
5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146241248
5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146241386
5-[(2S,4S)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146243560
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,7-diamine
CID 146250709
5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146250831

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
The IUPAC name of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine (CID 163946038) is 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine.
What is the SMILES notation for 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
The canonical SMILES for 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)c(O[C@@H]4CCN(C)CC4(F)F)c23)ccc1Oc1cc2ncnn2cn1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)c(O[C@H]4CCN(C)CC4(F)F)c23)ccc1Oc1cc2ncnn2cn1.
What is the InChIKey of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
The InChIKey is RVDIJHDLHNFGIF-WVPOSKGVSA-N. The full InChI is InChI=1S/2C30H30F2N8O4/c2*1-18-11-19(3-5-22(18)43-26-12-25-34-16-37-40(25)17-36-26)38-29-27-21(33-15-35-29)4-6-23(42-20-8-10-41-13-20)28(27)44-24-7-9-39(2)14-30(24,31)32/h2*3-6,11-12,15-17,20,24H,7-10,13-14H2,1-2H3,(H,33,35,38)/t20-,24+;20-,24-/m00/s1.
What are the key properties of 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine has a molecular weight of 1209.24 g/mol, XLogP of 9.60, 16 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 163946038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).