5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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

C58H59FN14O4 — CID 159759303

IUPAC5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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
SMILESCN1[C@@H]2CC[C@H]1CC(O)C2.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4C[C@H]5CC[C@@H](C4)N5C)c23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C29H29N7O2.C21H15FN6O.C8H15NO/c1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2;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;1-9-6-2-3-7(9)5-8(10)4-6/h3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34);2-12H,1H3,(H,23,25,27);6-8,10H,2-5H2,1H3/t20-,21+,23?;;6-,7+,8?
InChIKeyNERCTPIRMXKCRB-WCDFAOJNSA-N
MW1035.20 g/mol
LogP10.78
Rot. Bonds10

About 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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

5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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 (PubChem CID 159759303) has the molecular formula C58H59FN14O4 and a molecular weight of 1035.20 g/mol. Its IUPAC name is 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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.

Molecular Properties

Compound Name5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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
PubChem CID159759303
Molecular FormulaC58H59FN14O4
Molecular Weight1035.20 g/mol
Exact Mass1034.48
IUPAC Name5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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
SMILESCN1[C@@H]2CC[C@H]1CC(O)C2.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4C[C@H]5CC[C@@H](C4)N5C)c23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C29H29N7O2.C21H15FN6O.C8H15NO/c1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2;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;1-9-6-2-3-7(9)5-8(10)4-6/h3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34);2-12H,1H3,(H,23,25,27);6-8,10H,2-5H2,1H3/t20-,21+,23?;;6-,7+,8?
InChIKeyNERCTPIRMXKCRB-WCDFAOJNSA-N
XLogP10.78
TPSA190.40 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.20
LogP ≤ 510.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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 with MolForge

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Related Compounds

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-[[(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-[(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
N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[(2R,4S)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine
CID 155926698
5-(3,3-difluoro-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 155926699
US11834453, Example 312
CID 167318662

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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?
The IUPAC name of 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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 159759303) is 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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.
What is the SMILES notation for 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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?
The canonical SMILES for 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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 is CN1[C@@H]2CC[C@H]1CC(O)C2.Cc1cc(Nc2ncnc3cccc(F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4C[C@H]5CC[C@@H](C4)N5C)c23)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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?
The InChIKey is NERCTPIRMXKCRB-WCDFAOJNSA-N. The full InChI is InChI=1S/C29H29N7O2.C21H15FN6O.C8H15NO/c1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2;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;1-9-6-2-3-7(9)5-8(10)4-6/h3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34);2-12H,1H3,(H,23,25,27);6-8,10H,2-5H2,1H3/t20-,21+,23?;;6-,7+,8?.
What are the key properties of 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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?
5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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 has a molecular weight of 1035.20 g/mol, XLogP of 10.78, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;5-[[(1R,5S)-8-methyl-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 is sourced from PubChem (CID 159759303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).