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

C28H28FN7O3 — CID 146250831

IUPAC5-(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
SMILESCOc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F
InChIInChI=1S/C28H28FN7O3/c1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29/h4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34)
InChIKeyIVBJRBFTTSFLEL-UHFFFAOYSA-N
MW529.58 g/mol
LogP4.95
Rot. Bonds7

About 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

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 (PubChem CID 146250831) has the molecular formula C28H28FN7O3 and a molecular weight of 529.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID146250831
Molecular FormulaC28H28FN7O3
Molecular Weight529.58 g/mol
Exact Mass529.22
IUPAC Name5-(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
SMILESCOc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F
InChIInChI=1S/C28H28FN7O3/c1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29/h4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34)
InChIKeyIVBJRBFTTSFLEL-UHFFFAOYSA-N
XLogP4.95
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F.
What is the InChIKey of 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?
The InChIKey is IVBJRBFTTSFLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O3/c1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29/h4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34).
What are the key properties of 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?
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 has a molecular weight of 529.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146250831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).