16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene

C23H21F2N5O — CID 166498372

IUPAC16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene
SMILESCc1c[nH]c2c(-c3c(F)c4c(c5c3OCC5)NC(C)(C)c3nnc(C)n3-4)cc(F)cc12
InChIInChI=1S/C23H21F2N5O/c1-10-9-26-18-14(10)7-12(24)8-15(18)16-17(25)20-19(13-5-6-31-21(13)16)27-23(3,4)22-29-28-11(2)30(20)22/h7-9,26-27H,5-6H2,1-4H3
InChIKeyDMRZRVMLJPLTJT-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.91
Rot. Bonds1

About 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene

16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene (PubChem CID 166498372) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene.

Molecular Properties

Compound Name16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene
PubChem CID166498372
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene
SMILESCc1c[nH]c2c(-c3c(F)c4c(c5c3OCC5)NC(C)(C)c3nnc(C)n3-4)cc(F)cc12
InChIInChI=1S/C23H21F2N5O/c1-10-9-26-18-14(10)7-12(24)8-15(18)16-17(25)20-19(13-5-6-31-21(13)16)27-23(3,4)22-29-28-11(2)30(20)22/h7-9,26-27H,5-6H2,1-4H3
InChIKeyDMRZRVMLJPLTJT-UHFFFAOYSA-N
XLogP4.91
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene?
The IUPAC name of 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene (CID 166498372) is 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene.
What is the SMILES notation for 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene?
The canonical SMILES for 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene is Cc1c[nH]c2c(-c3c(F)c4c(c5c3OCC5)NC(C)(C)c3nnc(C)n3-4)cc(F)cc12.
What is the InChIKey of 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene?
The InChIKey is DMRZRVMLJPLTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O/c1-10-9-26-18-14(10)7-12(24)8-15(18)16-17(25)20-19(13-5-6-31-21(13)16)27-23(3,4)22-29-28-11(2)30(20)22/h7-9,26-27H,5-6H2,1-4H3.
What are the key properties of 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene?
16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene has a molecular weight of 421.45 g/mol, XLogP of 4.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-15-(5-fluoro-3-methyl-1H-indol-7-yl)-3,7,7-trimethyl-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(16),3,5,9,14-pentaene is sourced from PubChem (CID 166498372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).