3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol

C90H95F9N22O8 — CID 157087817

IUPAC3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol
SMILESCCN1CCC(O)C(F)(F)C1.CCN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.CCN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.CO.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.OC1CCNCC1(F)F
InChIInChI=1S/2C28H27F2N7O2.C21H15FN6O.C7H13F2NO.C5H9F2NO.CH4O/c2*1-3-36-11-10-24(28(29,30)15-36)39-23-6-4-5-21-26(23)27(33-16-31-21)35-19-7-8-22(18(2)13-19)38-20-9-12-37-25(14-20)32-17-34-37;1-13-9-14(27-21-20-16(22)3-2-4-17(20)23-11-25-21)5-6-18(13)29-15-7-8-28-19(10-15)24-12-26-28;1-2-10-4-3-6(11)7(8,9)5-10;6-5(7)3-8-2-1-4(5)9;1-2/h2*4-9,12-14,16-17,24H,3,10-11,15H2,1-2H3,(H,31,33,35);2-12H,1H3,(H,23,25,27);6,11H,2-5H2,1H3;4,8-9H,1-3H2;2H,1H3
InChIKeyAEHIDXGZVGVZLQ-UHFFFAOYSA-N
MW1783.88 g/mol
LogP16.20
Rot. Bonds19

About 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol

3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol (PubChem CID 157087817) has the molecular formula C90H95F9N22O8 and a molecular weight of 1783.88 g/mol. Its IUPAC name is 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol.

Molecular Properties

Compound Name3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol
PubChem CID157087817
Molecular FormulaC90H95F9N22O8
Molecular Weight1783.88 g/mol
Exact Mass1782.76
IUPAC Name3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol
SMILESCCN1CCC(O)C(F)(F)C1.CCN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.CCN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.CO.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.OC1CCNCC1(F)F
InChIInChI=1S/2C28H27F2N7O2.C21H15FN6O.C7H13F2NO.C5H9F2NO.CH4O/c2*1-3-36-11-10-24(28(29,30)15-36)39-23-6-4-5-21-26(23)27(33-16-31-21)35-19-7-8-22(18(2)13-19)38-20-9-12-37-25(14-20)32-17-34-37;1-13-9-14(27-21-20-16(22)3-2-4-17(20)23-11-25-21)5-6-18(13)29-15-7-8-28-19(10-15)24-12-26-28;1-2-10-4-3-6(11)7(8,9)5-10;6-5(7)3-8-2-1-4(5)9;1-2/h2*4-9,12-14,16-17,24H,3,10-11,15H2,1-2H3,(H,31,33,35);2-12H,1H3,(H,23,25,27);6,11H,2-5H2,1H3;4,8-9H,1-3H2;2H,1H3
InChIKeyAEHIDXGZVGVZLQ-UHFFFAOYSA-N
XLogP16.20
TPSA332.59 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.88
LogP ≤ 516.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol with MolForge

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Related Compounds

5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146241657
Bizrolertinib
CID 146448634
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol?
The IUPAC name of 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol (CID 157087817) is 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol.
What is the SMILES notation for 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol?
The canonical SMILES for 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol is CCN1CCC(O)C(F)(F)C1.CCN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.CCN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.CO.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.OC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol?
The InChIKey is AEHIDXGZVGVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27F2N7O2.C21H15FN6O.C7H13F2NO.C5H9F2NO.CH4O/c2*1-3-36-11-10-24(28(29,30)15-36)39-23-6-4-5-21-26(23)27(33-16-31-21)35-19-7-8-22(18(2)13-19)38-20-9-12-37-25(14-20)32-17-34-37;1-13-9-14(27-21-20-16(22)3-2-4-17(20)23-11-25-21)5-6-18(13)29-15-7-8-28-19(10-15)24-12-26-28;1-2-10-4-3-6(11)7(8,9)5-10;6-5(7)3-8-2-1-4(5)9;1-2/h2*4-9,12-14,16-17,24H,3,10-11,15H2,1-2H3,(H,31,33,35);2-12H,1H3,(H,23,25,27);6,11H,2-5H2,1H3;4,8-9H,1-3H2;2H,1H3.
What are the key properties of 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol?
3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol has a molecular weight of 1783.88 g/mol, XLogP of 16.20, 19 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(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);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol is sourced from PubChem (CID 157087817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).