6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine

C25H22ClN7O3 — CID 157047015

IUPAC6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2cc1OC1CNC1
InChIInChI=1S/C25H22ClN7O3/c1-2-34-22-10-20-18(9-23(22)36-17-11-27-12-17)25(30-13-28-20)32-15-3-4-21(19(26)7-15)35-16-5-6-33-24(8-16)29-14-31-33/h3-10,13-14,17,27H,2,11-12H2,1H3,(H,28,30,32)
InChIKeyZXDBEFQSYMCLIA-UHFFFAOYSA-N
MW503.95 g/mol
LogP4.61
Rot. Bonds8

About 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine

6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine (PubChem CID 157047015) has the molecular formula C25H22ClN7O3 and a molecular weight of 503.95 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine
PubChem CID157047015
Molecular FormulaC25H22ClN7O3
Molecular Weight503.95 g/mol
Exact Mass503.15
IUPAC Name6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2cc1OC1CNC1
InChIInChI=1S/C25H22ClN7O3/c1-2-34-22-10-20-18(9-23(22)36-17-11-27-12-17)25(30-13-28-20)32-15-3-4-21(19(26)7-15)35-16-5-6-33-24(8-16)29-14-31-33/h3-10,13-14,17,27H,2,11-12H2,1H3,(H,28,30,32)
InChIKeyZXDBEFQSYMCLIA-UHFFFAOYSA-N
XLogP4.61
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.95
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
CID 157046929
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine;ethane
CID 162431802
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-[2-(dimethylamino)ethoxy]-6-nitroquinazolin-4-amine
CID 162431884
6-cyclopentyloxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 147330210
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine
CID 91758367
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
4-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-N-methyl-6-N-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 166927668
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(3R)-3-(difluoromethoxy)pyrrolidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine
CID 167318601
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
N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-16-amine
CID 171095212
(3R)-1-[4-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4,4-difluoropyrrolidin-3-ol
CID 167318806
(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

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine?
The IUPAC name of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine (CID 157047015) is 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine.
What is the SMILES notation for 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine?
The canonical SMILES for 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine is CCOc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2cc1OC1CNC1.
What is the InChIKey of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine?
The InChIKey is ZXDBEFQSYMCLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O3/c1-2-34-22-10-20-18(9-23(22)36-17-11-27-12-17)25(30-13-28-20)32-15-3-4-21(19(26)7-15)35-16-5-6-33-24(8-16)29-14-31-33/h3-10,13-14,17,27H,2,11-12H2,1H3,(H,28,30,32).
What are the key properties of 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine?
6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine has a molecular weight of 503.95 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine is sourced from PubChem (CID 157047015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).