6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine

C25H22ClFN8O2 — CID 66937284

IUPAC6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine
SMILESCC1(C)COC(Nc2ccc3ncnc(N)c3c2)N1c1ccc(Oc2ccn3ncnc3c2)c(Cl)c1F
InChIInChI=1S/C25H22ClFN8O2/c1-25(2)11-36-24(33-14-3-4-17-16(9-14)23(28)31-12-29-17)35(25)18-5-6-19(21(26)22(18)27)37-15-7-8-34-20(10-15)30-13-32-34/h3-10,12-13,24,33H,11H2,1-2H3,(H2,28,29,31)
InChIKeyCIYRMDWWHFRDFI-UHFFFAOYSA-N
MW520.96 g/mol
LogP4.85
Rot. Bonds5

About 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine

6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine (PubChem CID 66937284) has the molecular formula C25H22ClFN8O2 and a molecular weight of 520.96 g/mol. Its IUPAC name is 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine
PubChem CID66937284
Molecular FormulaC25H22ClFN8O2
Molecular Weight520.96 g/mol
Exact Mass520.15
IUPAC Name6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine
SMILESCC1(C)COC(Nc2ccc3ncnc(N)c3c2)N1c1ccc(Oc2ccn3ncnc3c2)c(Cl)c1F
InChIInChI=1S/C25H22ClFN8O2/c1-25(2)11-36-24(33-14-3-4-17-16(9-14)23(28)31-12-29-17)35(25)18-5-6-19(21(26)22(18)27)37-15-7-8-34-20(10-15)30-13-32-34/h3-10,12-13,24,33H,11H2,1-2H3,(H2,28,29,31)
InChIKeyCIYRMDWWHFRDFI-UHFFFAOYSA-N
XLogP4.85
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.96
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine?
The IUPAC name of 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine (CID 66937284) is 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine.
What is the SMILES notation for 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine?
The canonical SMILES for 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine is CC1(C)COC(Nc2ccc3ncnc(N)c3c2)N1c1ccc(Oc2ccn3ncnc3c2)c(Cl)c1F.
What is the InChIKey of 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine?
The InChIKey is CIYRMDWWHFRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN8O2/c1-25(2)11-36-24(33-14-3-4-17-16(9-14)23(28)31-12-29-17)35(25)18-5-6-19(21(26)22(18)27)37-15-7-8-34-20(10-15)30-13-32-34/h3-10,12-13,24,33H,11H2,1-2H3,(H2,28,29,31).
What are the key properties of 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine?
6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine has a molecular weight of 520.96 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,4-dimethyl-1,3-oxazolidin-2-yl]quinazoline-4,6-diamine is sourced from PubChem (CID 66937284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).