(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

C25H22N8O2 — CID 171095372

IUPAC(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
SMILESCc1cc(Nc2ncnc3cc4c(nc23)N2CCC[C@H]2CO4)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C25H22N8O2/c1-15-9-16(4-5-20(15)35-18-6-8-33-22(10-18)27-14-29-33)30-24-23-19(26-13-28-24)11-21-25(31-23)32-7-2-3-17(32)12-34-21/h4-6,8-11,13-14,17H,2-3,7,12H2,1H3,(H,26,28,30)/t17-/m0/s1
InChIKeyKKAQKFPEEBRIBC-KRWDZBQOSA-N
MW466.51 g/mol
LogP4.27
Rot. Bonds4

About (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

(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 (PubChem CID 171095372) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171095372
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Name(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
SMILESCc1cc(Nc2ncnc3cc4c(nc23)N2CCC[C@H]2CO4)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C25H22N8O2/c1-15-9-16(4-5-20(15)35-18-6-8-33-22(10-18)27-14-29-33)30-24-23-19(26-13-28-24)11-21-25(31-23)32-7-2-3-17(32)12-34-21/h4-6,8-11,13-14,17H,2-3,7,12H2,1H3,(H,26,28,30)/t17-/m0/s1
InChIKeyKKAQKFPEEBRIBC-KRWDZBQOSA-N
XLogP4.27
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

5-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-16-amine
CID 171095475
N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-16-amine
CID 171095212
N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
CID 166927873
(7S)-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-5,9-dioxa-2,13,15,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-16-amine
CID 171095520
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
tert-butyl (7R)-16-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaene-5-carboxylate
CID 171095438
6-cyclopentyloxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 147330210
2-[(2R)-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]azetidin-2-yl]propan-2-ol
CID 167318642
(7S)-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-9-oxa-2,5,13,15,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-16-amine
CID 171095297
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
acetylene;N-[4-[[1-[(Z)-ethylideneamino]-2H-pyridin-4-yl]oxy]-3-methylphenyl]-9-oxa-2,13,15,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-16-amine;propane
CID 171095362
(E)-4-(dimethylamino)-1-[(7R)-12-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-9-oxa-2,5,13,15,18-pentazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,12,14,16-pentaen-5-yl]but-2-en-1-one
CID 171094707

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(Nc2ncnc3cc4c(nc23)N2CCC[C@H]2CO4)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of (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?
The InChIKey is KKAQKFPEEBRIBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H22N8O2/c1-15-9-16(4-5-20(15)35-18-6-8-33-22(10-18)27-14-29-33)30-24-23-19(26-13-28-24)11-21-25(31-23)32-7-2-3-17(32)12-34-21/h4-6,8-11,13-14,17H,2-3,7,12H2,1H3,(H,26,28,30)/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 466.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171095372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).