16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

C27H16N4O2 — CID 140680723

IUPAC16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESc1ccc(Oc2cccc(Oc3ccc4c5cccc6c7cccnc7n(c4c3)c56)n2)nc1
InChIInChI=1S/C27H16N4O2/c1-2-14-28-23(9-1)33-25-11-4-10-24(30-25)32-17-12-13-18-19-6-3-7-20-21-8-5-15-29-27(21)31(26(19)20)22(18)16-17/h1-16H
InChIKeyRYFUUXWLKMHXIO-UHFFFAOYSA-N
MW428.45 g/mol
LogP6.61
Rot. Bonds4

About 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (PubChem CID 140680723) has the molecular formula C27H16N4O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.

Molecular Properties

Compound Name16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
PubChem CID140680723
Molecular FormulaC27H16N4O2
Molecular Weight428.45 g/mol
Exact Mass428.13
IUPAC Name16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESc1ccc(Oc2cccc(Oc3ccc4c5cccc6c7cccnc7n(c4c3)c56)n2)nc1
InChIInChI=1S/C27H16N4O2/c1-2-14-28-23(9-1)33-25-11-4-10-24(30-25)32-17-12-13-18-19-6-3-7-20-21-8-5-15-29-27(21)31(26(19)20)22(18)16-17/h1-16H
InChIKeyRYFUUXWLKMHXIO-UHFFFAOYSA-N
XLogP6.61
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene with MolForge

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Related Compounds

23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
CID 170187674
2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
CID 140680894
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
4-(9-pyridin-2-ylcarbazol-2-yl)oxy-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 140950405
9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163465409
23-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-29-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
CID 171460139
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 171748625
23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene
CID 171460111
9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole
CID 158262065
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610294

Frequently Asked Questions

What is the IUPAC name of 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The IUPAC name of 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (CID 140680723) is 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.
What is the SMILES notation for 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The canonical SMILES for 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is c1ccc(Oc2cccc(Oc3ccc4c5cccc6c7cccnc7n(c4c3)c56)n2)nc1.
What is the InChIKey of 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The InChIKey is RYFUUXWLKMHXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4O2/c1-2-14-28-23(9-1)33-25-11-4-10-24(30-25)32-17-12-13-18-19-6-3-7-20-21-8-5-15-29-27(21)31(26(19)20)22(18)16-17/h1-16H.
What are the key properties of 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene has a molecular weight of 428.45 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is sourced from PubChem (CID 140680723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).