6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine

C21H12N4O — CID 142281052

IUPAC6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ncncc3c2c1
InChIInChI=1S/C21H12N4O/c1-2-5-17-14(4-1)20-18(6-3-9-23-20)25(17)13-7-8-19-15(10-13)16-11-22-12-24-21(16)26-19/h1-12H
InChIKeyKXNKCYODGFFRSI-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.87
Rot. Bonds1

About 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine

6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 142281052) has the molecular formula C21H12N4O and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID142281052
Molecular FormulaC21H12N4O
Molecular Weight336.35 g/mol
Exact Mass336.10
IUPAC Name6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ncncc3c2c1
InChIInChI=1S/C21H12N4O/c1-2-5-17-14(4-1)20-18(6-3-9-23-20)25(17)13-7-8-19-15(10-13)16-11-22-12-24-21(16)26-19/h1-12H
InChIKeyKXNKCYODGFFRSI-UHFFFAOYSA-N
XLogP4.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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)-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-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
CID 130191513
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
8-[16-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-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]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59147537
8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
CID 59307384
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
6-carbazol-9-yl-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329821
(Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine
CID 144612620
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
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole
CID 59561578

Frequently Asked Questions

What is the IUPAC name of 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine (CID 142281052) is 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine is c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ncncc3c2c1.
What is the InChIKey of 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is KXNKCYODGFFRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O/c1-2-5-17-14(4-1)20-18(6-3-9-23-20)25(17)13-7-8-19-15(10-13)16-11-22-12-24-21(16)26-19/h1-12H.
What are the key properties of 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine?
6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 336.35 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 142281052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).