6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid

C30H28F3N7O4 — CID 175958433

IUPAC6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(Nc2ncnc3ccc(OC4CC5CCC(C4)N5)cc23)ccc1Oc1ccn2ncnc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H27N7O2.C2HF3O2/c1-17-10-18(4-7-26(17)37-22-8-9-35-27(14-22)30-16-32-35)34-28-24-13-21(5-6-25(24)29-15-31-28)36-23-11-19-2-3-20(12-23)33-19;3-2(4,5)1(6)7/h4-10,13-16,19-20,23,33H,2-3,11-12H2,1H3,(H,29,31,34);(H,6,7)
InChIKeyFCSBYAPEHRBLMY-UHFFFAOYSA-N
MW607.59 g/mol
LogP5.81
Rot. Bonds6

About 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid

6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 175958433) has the molecular formula C30H28F3N7O4 and a molecular weight of 607.59 g/mol. Its IUPAC name is 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID175958433
Molecular FormulaC30H28F3N7O4
Molecular Weight607.59 g/mol
Exact Mass607.22
IUPAC Name6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(Nc2ncnc3ccc(OC4CC5CCC(C4)N5)cc23)ccc1Oc1ccn2ncnc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H27N7O2.C2HF3O2/c1-17-10-18(4-7-26(17)37-22-8-9-35-27(14-22)30-16-32-35)34-28-24-13-21(5-6-25(24)29-15-31-28)36-23-11-19-2-3-20(12-23)33-19;3-2(4,5)1(6)7/h4-10,13-16,19-20,23,33H,2-3,11-12H2,1H3,(H,29,31,34);(H,6,7)
InChIKeyFCSBYAPEHRBLMY-UHFFFAOYSA-N
XLogP5.81
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.59
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

6-cyclopentyloxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 147330210
2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl acetate
CID 16752578
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
(3R)-1-[2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl]pyrrolidin-3-ol
CID 58139868
3-(1-methylcyclopropyl)-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]prop-2-ynamide
CID 162431714
1-[4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166544130
5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-ol
CID 155188332
5-hydroxy-N-methyl-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431836
(4S)-4-methyl-3-methylidene-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-2-one
CID 164561869
6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine
CID 58139939
5-[tert-butyl(dimethyl)silyl]oxy-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431814

Frequently Asked Questions

What is the IUPAC name of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid (CID 175958433) is 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid is Cc1cc(Nc2ncnc3ccc(OC4CC5CCC(C4)N5)cc23)ccc1Oc1ccn2ncnc2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FCSBYAPEHRBLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2.C2HF3O2/c1-17-10-18(4-7-26(17)37-22-8-9-35-27(14-22)30-16-32-35)34-28-24-13-21(5-6-25(24)29-15-31-28)36-23-11-19-2-3-20(12-23)33-19;3-2(4,5)1(6)7/h4-10,13-16,19-20,23,33H,2-3,11-12H2,1H3,(H,29,31,34);(H,6,7).
What are the key properties of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid?
6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 607.59 g/mol, XLogP of 5.81, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175958433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).