6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine

C32H17FN6O — CID 144612650

IUPAC6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-n2c3ccc(-n4c5ccncc5c5cnccc54)cc3c3ncccc32)cc2c1oc1cccnc12
InChIInChI=1S/C32H17FN6O/c33-24-15-19(14-21-31-29(40-32(21)24)4-2-10-37-31)39-25-6-5-18(13-20(25)30-28(39)3-1-9-36-30)38-26-7-11-34-16-22(26)23-17-35-12-8-27(23)38/h1-17H
InChIKeyZJWJDQROAJCLBB-UHFFFAOYSA-N
MW520.53 g/mol
LogP7.50
Rot. Bonds2

About 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine

6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 144612650) has the molecular formula C32H17FN6O and a molecular weight of 520.53 g/mol. Its IUPAC name is 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID144612650
Molecular FormulaC32H17FN6O
Molecular Weight520.53 g/mol
Exact Mass520.14
IUPAC Name6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFc1cc(-n2c3ccc(-n4c5ccncc5c5cnccc54)cc3c3ncccc32)cc2c1oc1cccnc12
InChIInChI=1S/C32H17FN6O/c33-24-15-19(14-21-31-29(40-32(21)24)4-2-10-37-31)39-25-6-5-18(13-20(25)30-28(39)3-1-9-36-30)38-26-7-11-34-16-22(26)23-17-35-12-8-27(23)38/h1-17H
InChIKeyZJWJDQROAJCLBB-UHFFFAOYSA-N
XLogP7.50
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.53
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137632564
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137642259
N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137647438
N-[[1-(3-aminopropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137650595
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137655340
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137658203
N-[[1-[3-(diethylamino)propyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137658991
N-[[1-[2-(diethylamino)ethyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137659173
N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137639056
N-[[1-(2-phenylethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137633370
N-[[1-[3-(4-methylpiperazin-1-yl)propyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137636563
N-[[1-(2-morpholin-4-ylethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137636749

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine (CID 144612650) is 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine is Fc1cc(-n2c3ccc(-n4c5ccncc5c5cnccc54)cc3c3ncccc32)cc2c1oc1cccnc12.
What is the InChIKey of 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ZJWJDQROAJCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17FN6O/c33-24-15-19(14-21-31-29(40-32(21)24)4-2-10-37-31)39-25-6-5-18(13-20(25)30-28(39)3-1-9-36-30)38-26-7-11-34-16-22(26)23-17-35-12-8-27(23)38/h1-17H.
What are the key properties of 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine?
6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 520.53 g/mol, XLogP of 7.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 144612650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).