16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene

C25H14F2N2O2 — CID 138811164

IUPAC16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene
SMILESFc1ccc2ccn(-c3cc4cc5c(cc4c4cc6ccc(F)cc6n34)OCO5)c2c1
InChIInChI=1S/C25H14F2N2O2/c26-17-3-1-14-5-6-28(20(14)10-17)25-9-16-8-23-24(31-13-30-23)12-19(16)22-7-15-2-4-18(27)11-21(15)29(22)25/h1-12H,13H2
InChIKeyDRLSLRDYVJBLQI-UHFFFAOYSA-N
MW412.40 g/mol
LogP6.20
Rot. Bonds1

About 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene

16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene (PubChem CID 138811164) has the molecular formula C25H14F2N2O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene.

Molecular Properties

Compound Name16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene
PubChem CID138811164
Molecular FormulaC25H14F2N2O2
Molecular Weight412.40 g/mol
Exact Mass412.10
IUPAC Name16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene
SMILESFc1ccc2ccn(-c3cc4cc5c(cc4c4cc6ccc(F)cc6n34)OCO5)c2c1
InChIInChI=1S/C25H14F2N2O2/c26-17-3-1-14-5-6-28(20(14)10-17)25-9-16-8-23-24(31-13-30-23)12-19(16)22-7-15-2-4-18(27)11-21(15)29(22)25/h1-12H,13H2
InChIKeyDRLSLRDYVJBLQI-UHFFFAOYSA-N
XLogP6.20
TPSA27.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.40
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene?
The IUPAC name of 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene (CID 138811164) is 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene.
What is the SMILES notation for 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene?
The canonical SMILES for 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene is Fc1ccc2ccn(-c3cc4cc5c(cc4c4cc6ccc(F)cc6n34)OCO5)c2c1.
What is the InChIKey of 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene?
The InChIKey is DRLSLRDYVJBLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F2N2O2/c26-17-3-1-14-5-6-28(20(14)10-17)25-9-16-8-23-24(31-13-30-23)12-19(16)22-7-15-2-4-18(27)11-21(15)29(22)25/h1-12H,13H2.
What are the key properties of 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene?
16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene has a molecular weight of 412.40 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene is sourced from PubChem (CID 138811164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).