N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine

C25H23FN8O — CID 167269797

IUPACN-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(N4CCCCC4)nc23)c1F
InChIInChI=1S/C25H23FN8O/c1-16-20(35-17-9-12-34-22(13-17)28-15-30-34)7-5-18(23(16)26)31-25-24-19(27-14-29-25)6-8-21(32-24)33-10-3-2-4-11-33/h5-9,12-15H,2-4,10-11H2,1H3,(H,27,29,31)
InChIKeyOTUBWZOFHZUBNO-UHFFFAOYSA-N
MW470.51 g/mol
LogP5.04
Rot. Bonds5

About N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine

N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 167269797) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID167269797
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC NameN-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(N4CCCCC4)nc23)c1F
InChIInChI=1S/C25H23FN8O/c1-16-20(35-17-9-12-34-22(13-17)28-15-30-34)7-5-18(23(16)26)31-25-24-19(27-14-29-25)6-8-21(32-24)33-10-3-2-4-11-33/h5-9,12-15H,2-4,10-11H2,1H3,(H,27,29,31)
InChIKeyOTUBWZOFHZUBNO-UHFFFAOYSA-N
XLogP5.04
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 175853126
1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2-methylpiperazin-1-yl]but-2-yn-1-one
CID 167268340
1-[8-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]but-2-yn-1-one
CID 166544275
1-[(1R,4R)-5-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one
CID 166544210
N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-12-oxa-1,3,6,8,15-pentazatetracyclo[12.3.1.02,11.04,9]octadeca-2(11),3,5,7,9-pentaen-5-amine
CID 168762300
(3R)-1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3-methylpyrrolidin-3-ol
CID 167318540
6-(3,3-dimethylpiperazin-1-yl)-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;hydrochloride
CID 167629870
1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
CID 166029198
1-[4-[[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-methylamino]piperidin-1-yl]prop-2-en-1-one
CID 166544235
1-[3-[(1S)-1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]ethyl]azetidin-1-yl]prop-2-en-1-one
CID 166543799
1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]sulfanylpiperidin-1-yl]prop-2-en-1-one
CID 166544347
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166544037

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine (CID 167269797) is N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine is Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(N4CCCCC4)nc23)c1F.
What is the InChIKey of N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is OTUBWZOFHZUBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-16-20(35-17-9-12-34-22(13-17)28-15-30-34)7-5-18(23(16)26)31-25-24-19(27-14-29-25)6-8-21(32-24)33-10-3-2-4-11-33/h5-9,12-15H,2-4,10-11H2,1H3,(H,27,29,31).
What are the key properties of N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 470.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 167269797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).