8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine

C26H15N5O — CID 130191513

IUPAC8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)c1ncccc1n2-c1ccc2oc3c(-c4cncnc4)ccnc3c2c1
InChIInChI=1S/C26H15N5O/c1-2-5-21-19(4-1)24-22(6-3-10-29-24)31(21)17-7-8-23-20(12-17)25-26(32-23)18(9-11-30-25)16-13-27-15-28-14-16/h1-15H
InChIKeyORPQFACMSYFESC-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.93
Rot. Bonds2

About 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine

8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 130191513) has the molecular formula C26H15N5O and a molecular weight of 413.44 g/mol. Its IUPAC name is 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID130191513
Molecular FormulaC26H15N5O
Molecular Weight413.44 g/mol
Exact Mass413.13
IUPAC Name8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)c1ncccc1n2-c1ccc2oc3c(-c4cncnc4)ccnc3c2c1
InChIInChI=1S/C26H15N5O/c1-2-5-21-19(4-1)24-22(6-3-10-29-24)31(21)17-7-8-23-20(12-17)25-26(32-23)18(9-11-30-25)16-13-27-15-28-14-16/h1-15H
InChIKeyORPQFACMSYFESC-UHFFFAOYSA-N
XLogP5.93
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
CID 142336402
4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
CID 130191520
8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[3-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336460
6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine
CID 142281052
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166
8-[18-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59147064
6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 142336416
8-[5-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67952840
8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
CID 59307384
8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
CID 159297836
8-[18-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59147280
8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
CID 159068454

Frequently Asked Questions

What is the IUPAC name of 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine (CID 130191513) is 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3c(-c4cncnc4)ccnc3c2c1.
What is the InChIKey of 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ORPQFACMSYFESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N5O/c1-2-5-21-19(4-1)24-22(6-3-10-29-24)31(21)17-7-8-23-20(12-17)25-26(32-23)18(9-11-30-25)16-13-27-15-28-14-16/h1-15H.
What are the key properties of 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?
8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 413.44 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130191513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).