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

C25H22FN9O2 — CID 168762300

IUPACN-[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
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cc4c(nc23)N2CCNC(CO4)C2)c1F
InChIInChI=1S/C25H22FN9O2/c1-14-19(37-16-4-6-35-21(8-16)29-13-31-35)3-2-17(22(14)26)32-24-23-18(28-12-30-24)9-20-25(33-23)34-7-5-27-15(10-34)11-36-20/h2-4,6,8-9,12-13,15,27H,5,7,10-11H2,1H3,(H,28,30,32)
InChIKeyGLUCFXZRKCHBSN-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.22
Rot. Bonds4

About 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

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 (PubChem CID 168762300) has the molecular formula C25H22FN9O2 and a molecular weight of 499.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID168762300
Molecular FormulaC25H22FN9O2
Molecular Weight499.51 g/mol
Exact Mass499.19
IUPAC NameN-[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
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cc4c(nc23)N2CCNC(CO4)C2)c1F
InChIInChI=1S/C25H22FN9O2/c1-14-19(37-16-4-6-35-21(8-16)29-13-31-35)3-2-17(22(14)26)32-24-23-18(28-12-30-24)9-20-25(33-23)34-7-5-27-15(10-34)11-36-20/h2-4,6,8-9,12-13,15,27H,5,7,10-11H2,1H3,(H,28,30,32)
InChIKeyGLUCFXZRKCHBSN-UHFFFAOYSA-N
XLogP3.22
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 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
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
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
N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(3R)-3-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine;hydrochloride
CID 167608902
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
(E)-4-[[(E)-3-[[1-amino-4-[5-fluoro-2-methyl-4-(12-oxa-1,3,6,8,15-pentazatetracyclo[12.3.1.02,11.04,9]octadeca-2(11),3,5,7,9-pentaen-5-ylamino)phenoxy]-2-pyridinylidene]amino]prop-2-enyl]-methylamino]-1-[5-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-12-oxa-1,3,6,8,15-pentazatetracyclo[12.3.1.02,11.04,9]octadeca-2(11),3,5,7,9-pentaen-15-yl]but-2-en-1-one
CID 174065819
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
(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
(15S)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-17-oxa-4,6,9,11-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8-pentaen-7-amine
CID 171095372
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-[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

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]-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cc4c(nc23)N2CCNC(CO4)C2)c1F.
What is the InChIKey of 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?
The InChIKey is GLUCFXZRKCHBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN9O2/c1-14-19(37-16-4-6-35-21(8-16)29-13-31-35)3-2-17(22(14)26)32-24-23-18(28-12-30-24)9-20-25(33-23)34-7-5-27-15(10-34)11-36-20/h2-4,6,8-9,12-13,15,27H,5,7,10-11H2,1H3,(H,28,30,32).
What are the key properties of 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?
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 has a molecular weight of 499.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 11 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]-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 is sourced from PubChem (CID 168762300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).