8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

C43H38F2N8O3S2 — CID 139316604

IUPAC8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESFc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOC(C5CN(c6nc7ccc(N8CCc9oc%10ccc(F)cc%10c9C8)cc7s6)CCO5)C4)sc2n1)CC3
InChIInChI=1S/C43H38F2N8O3S2/c44-24-1-4-31-27(17-24)29-20-51(11-9-32(29)46-31)40-8-6-34-41(49-40)58-43(48-34)53-14-16-55-38(23-53)37-22-52(13-15-54-37)42-47-33-5-3-26(19-39(33)57-42)50-12-10-36-30(21-50)28-18-25(45)2-7-35(28)56-36/h1-8,17-19,37-38,46H,9-16,20-23H2
InChIKeyHIIWZTAGLBKPJP-UHFFFAOYSA-N
MW816.96 g/mol
LogP8.04
Rot. Bonds5

About 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (PubChem CID 139316604) has the molecular formula C43H38F2N8O3S2 and a molecular weight of 816.96 g/mol. Its IUPAC name is 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
PubChem CID139316604
Molecular FormulaC43H38F2N8O3S2
Molecular Weight816.96 g/mol
Exact Mass816.25
IUPAC Name8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESFc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOC(C5CN(c6nc7ccc(N8CCc9oc%10ccc(F)cc%10c9C8)cc7s6)CCO5)C4)sc2n1)CC3
InChIInChI=1S/C43H38F2N8O3S2/c44-24-1-4-31-27(17-24)29-20-51(11-9-32(29)46-31)40-8-6-34-41(49-40)58-43(48-34)53-14-16-55-38(23-53)37-22-52(13-15-54-37)42-47-33-5-3-26(19-39(33)57-42)50-12-10-36-30(21-50)28-18-25(45)2-7-35(28)56-36/h1-8,17-19,37-38,46H,9-16,20-23H2
InChIKeyHIIWZTAGLBKPJP-UHFFFAOYSA-N
XLogP8.04
TPSA99.02 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (CID 139316604) is 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOC(C5CN(c6nc7ccc(N8CCc9oc%10ccc(F)cc%10c9C8)cc7s6)CCO5)C4)sc2n1)CC3.
What is the InChIKey of 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The InChIKey is HIIWZTAGLBKPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38F2N8O3S2/c44-24-1-4-31-27(17-24)29-20-51(11-9-32(29)46-31)40-8-6-34-41(49-40)58-43(48-34)53-14-16-55-38(23-53)37-22-52(13-15-54-37)42-47-33-5-3-26(19-39(33)57-42)50-12-10-36-30(21-50)28-18-25(45)2-7-35(28)56-36/h1-8,17-19,37-38,46H,9-16,20-23H2.
What are the key properties of 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine has a molecular weight of 816.96 g/mol, XLogP of 8.04, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[2-[2-[4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzothiazol-6-yl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 139316604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).