2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine

C41H26N4O2 — CID 159911696

IUPAC2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccccn3)cc(Oc3ccc4c5c6c(ccc5n(-c5ccccn5)c4c3)Cc3ccccc3-6)cc12
InChIInChI=1S/C41H26N4O2/c1-24-12-15-30-32-21-28(22-33(34-10-4-6-18-42-34)40(32)47-41(30)44-24)46-27-14-16-31-36(23-27)45(37-11-5-7-19-43-37)35-17-13-26-20-25-8-2-3-9-29(25)38(26)39(31)35/h2-19,21-23H,20H2,1H3
InChIKeyXWVUJWYIUZHRAC-UHFFFAOYSA-N
MW606.69 g/mol
LogP10.21
Rot. Bonds4

About 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine (PubChem CID 159911696) has the molecular formula C41H26N4O2 and a molecular weight of 606.69 g/mol. Its IUPAC name is 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine
PubChem CID159911696
Molecular FormulaC41H26N4O2
Molecular Weight606.69 g/mol
Exact Mass606.21
IUPAC Name2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccccn3)cc(Oc3ccc4c5c6c(ccc5n(-c5ccccn5)c4c3)Cc3ccccc3-6)cc12
InChIInChI=1S/C41H26N4O2/c1-24-12-15-30-32-21-28(22-33(34-10-4-6-18-42-34)40(32)47-41(30)44-24)46-27-14-16-31-36(23-27)45(37-11-5-7-19-43-37)35-17-13-26-20-25-8-2-3-9-29(25)38(26)39(31)35/h2-19,21-23H,20H2,1H3
InChIKeyXWVUJWYIUZHRAC-UHFFFAOYSA-N
XLogP10.21
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.69
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160643943
CID 159911693
CID 159911693
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol
CID 157483049
2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol
CID 157483052
2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine
CID 176956277
2-methyl-8-[4-propan-2-yl-6-[2-(9-pyridin-2-ylcarbazol-2-yl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742184
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-methyl-8-[6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140741868
8-(2,6-dimethylphenyl)-3-methyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411649
8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
CID 140954813
9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole
CID 177287879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine (CID 159911696) is 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccccn3)cc(Oc3ccc4c5c6c(ccc5n(-c5ccccn5)c4c3)Cc3ccccc3-6)cc12.
What is the InChIKey of 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XWVUJWYIUZHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O2/c1-24-12-15-30-32-21-28(22-33(34-10-4-6-18-42-34)40(32)47-41(30)44-24)46-27-14-16-31-36(23-27)45(37-11-5-7-19-43-37)35-17-13-26-20-25-8-2-3-9-29(25)38(26)39(31)35/h2-19,21-23H,20H2,1H3.
What are the key properties of 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 606.69 g/mol, XLogP of 10.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159911696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).