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

C25H22FN9O — CID 175853126

IUPAC6-(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
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(N4C5CNCC4C5)nc23)c1F
InChIInChI=1S/C25H22FN9O/c1-14-20(36-17-6-7-34-22(9-17)29-13-31-34)4-2-18(23(14)26)32-25-24-19(28-12-30-25)3-5-21(33-24)35-15-8-16(35)11-27-10-15/h2-7,9,12-13,15-16,27H,8,10-11H2,1H3,(H,28,30,32)
InChIKeyDVRLOOMTSBBMCZ-UHFFFAOYSA-N
MW483.51 g/mol
LogP3.60
Rot. Bonds5

About 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

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 (PubChem CID 175853126) has the molecular formula C25H22FN9O and a molecular weight of 483.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID175853126
Molecular FormulaC25H22FN9O
Molecular Weight483.51 g/mol
Exact Mass483.19
IUPAC Name6-(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
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(N4C5CNCC4C5)nc23)c1F
InChIInChI=1S/C25H22FN9O/c1-14-20(36-17-6-7-34-22(9-17)29-13-31-34)4-2-18(23(14)26)32-25-24-19(28-12-30-25)3-5-21(33-24)35-15-8-16(35)11-27-10-15/h2-7,9,12-13,15-16,27H,8,10-11H2,1H3,(H,28,30,32)
InChIKeyDVRLOOMTSBBMCZ-UHFFFAOYSA-N
XLogP3.60
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
6-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-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
CID 166028918
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
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-[(1S,4S)-5-[4-[3-chloro-2-fluoro-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 166544099
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
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]pyrido[3,2-d]pyrimidin-6-yl]sulfanylpiperidin-1-yl]prop-2-en-1-one
CID 166544347
1-[(1R,5S)-6-[4-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,6-diazabicyclo[3.2.1]octan-2-yl]prop-2-en-1-one
CID 166544143

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(N4C5CNCC4C5)nc23)c1F.
What is the InChIKey of 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?
The InChIKey is DVRLOOMTSBBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN9O/c1-14-20(36-17-6-7-34-22(9-17)29-13-31-34)4-2-18(23(14)26)32-25-24-19(28-12-30-25)3-5-21(33-24)35-15-8-16(35)11-27-10-15/h2-7,9,12-13,15-16,27H,8,10-11H2,1H3,(H,28,30,32).
What are the key properties of 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?
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 has a molecular weight of 483.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175853126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).