11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide

C41H34FN5O4 — CID 58744405

IUPAC11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
SMILESCOc1ccc2[nH]cc(CCNc3c(F)cc4c(=O)c(C(=O)N(C)CCc5ccccn5)cn5c4c3Oc3ccc(-c4ccccc4)cc3-5)c2c1
InChIInChI=1S/C41H34FN5O4/c1-46(19-16-28-10-6-7-17-43-28)41(49)32-24-47-35-20-26(25-8-4-3-5-9-25)11-14-36(35)51-40-37(33(42)22-31(38(40)47)39(32)48)44-18-15-27-23-45-34-13-12-29(50-2)21-30(27)34/h3-14,17,20-24,44-45H,15-16,18-19H2,1-2H3
InChIKeyXJVXCFJDQVYYFW-UHFFFAOYSA-N
MW679.75 g/mol
LogP7.76
Rot. Bonds10

About 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide

11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide (PubChem CID 58744405) has the molecular formula C41H34FN5O4 and a molecular weight of 679.75 g/mol. Its IUPAC name is 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide.

Molecular Properties

Compound Name11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
PubChem CID58744405
Molecular FormulaC41H34FN5O4
Molecular Weight679.75 g/mol
Exact Mass679.26
IUPAC Name11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
SMILESCOc1ccc2[nH]cc(CCNc3c(F)cc4c(=O)c(C(=O)N(C)CCc5ccccn5)cn5c4c3Oc3ccc(-c4ccccc4)cc3-5)c2c1
InChIInChI=1S/C41H34FN5O4/c1-46(19-16-28-10-6-7-17-43-28)41(49)32-24-47-35-20-26(25-8-4-3-5-9-25)11-14-36(35)51-40-37(33(42)22-31(38(40)47)39(32)48)44-18-15-27-23-45-34-13-12-29(50-2)21-30(27)34/h3-14,17,20-24,44-45H,15-16,18-19H2,1-2H3
InChIKeyXJVXCFJDQVYYFW-UHFFFAOYSA-N
XLogP7.76
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.75
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The IUPAC name of 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide (CID 58744405) is 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide.
What is the SMILES notation for 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The canonical SMILES for 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide is COc1ccc2[nH]cc(CCNc3c(F)cc4c(=O)c(C(=O)N(C)CCc5ccccn5)cn5c4c3Oc3ccc(-c4ccccc4)cc3-5)c2c1.
What is the InChIKey of 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The InChIKey is XJVXCFJDQVYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34FN5O4/c1-46(19-16-28-10-6-7-17-43-28)41(49)32-24-47-35-20-26(25-8-4-3-5-9-25)11-14-36(35)51-40-37(33(42)22-31(38(40)47)39(32)48)44-18-15-27-23-45-34-13-12-29(50-2)21-30(27)34/h3-14,17,20-24,44-45H,15-16,18-19H2,1-2H3.
What are the key properties of 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide has a molecular weight of 679.75 g/mol, XLogP of 7.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-N-methyl-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide is sourced from PubChem (CID 58744405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).