4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane

C57H59F5N14O6 — CID 160900570

IUPAC4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane
SMILESC.CN1CCC(F)(F)C(O)C1.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F
InChIInChI=1S/C28H27F2N7O3.C22H17FN6O2.C6H11F2NO.CH4/c1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30;1-13-9-14(3-5-17(13)31-15-7-8-29-19(10-15)25-12-27-29)28-22-20-16(24-11-26-22)4-6-18(30-2)21(20)23;1-9-3-2-6(7,8)5(10)4-9;/h4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35);3-12H,1-2H3,(H,24,26,28);5,10H,2-4H2,1H3;1H4
InChIKeySPLFXCQOBQPESC-UHFFFAOYSA-N
MW1131.18 g/mol
LogP10.86
Rot. Bonds12

About 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane

4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane (PubChem CID 160900570) has the molecular formula C57H59F5N14O6 and a molecular weight of 1131.18 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane
PubChem CID160900570
Molecular FormulaC57H59F5N14O6
Molecular Weight1131.18 g/mol
Exact Mass1130.47
IUPAC Name4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane
SMILESC.CN1CCC(F)(F)C(O)C1.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F
InChIInChI=1S/C28H27F2N7O3.C22H17FN6O2.C6H11F2NO.CH4/c1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30;1-13-9-14(3-5-17(13)31-15-7-8-29-19(10-15)25-12-27-29)28-22-20-16(24-11-26-22)4-6-18(30-2)21(20)23;1-9-3-2-6(7,8)5(10)4-9;/h4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35);3-12H,1-2H3,(H,24,26,28);5,10H,2-4H2,1H3;1H4
InChIKeySPLFXCQOBQPESC-UHFFFAOYSA-N
XLogP10.86
TPSA208.86 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.18
LogP ≤ 510.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane with MolForge

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Related Compounds

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1-[(3S)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
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5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
CID 146240627
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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine
CID 146240650
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
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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
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine
CID 146241156
Her2-IN-7
CID 146241231

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane?
The IUPAC name of 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane (CID 160900570) is 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane?
The canonical SMILES for 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane is C.CN1CCC(F)(F)C(O)C1.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane?
The InChIKey is SPLFXCQOBQPESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O3.C22H17FN6O2.C6H11F2NO.CH4/c1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30;1-13-9-14(3-5-17(13)31-15-7-8-29-19(10-15)25-12-27-29)28-22-20-16(24-11-26-22)4-6-18(30-2)21(20)23;1-9-3-2-6(7,8)5(10)4-9;/h4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35);3-12H,1-2H3,(H,24,26,28);5,10H,2-4H2,1H3;1H4.
What are the key properties of 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane?
4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane has a molecular weight of 1131.18 g/mol, XLogP of 10.86, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidin-3-ol;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;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane is sourced from PubChem (CID 160900570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).