ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate

C20H17FN4O2 — CID 10133363

IUPACethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
SMILESCCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1cc(F)ccc1-2
InChIInChI=1S/C20H17FN4O2/c1-2-27-20(26)18-16-7-12-9-22-19(11-3-4-11)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,2-4,7H2,1H3
InChIKeyDIAFBFSXYSSZKC-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.43
Rot. Bonds3

About ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate

ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate (PubChem CID 10133363) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate.

Molecular Properties

Compound Nameethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
PubChem CID10133363
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Nameethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
SMILESCCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1cc(F)ccc1-2
InChIInChI=1S/C20H17FN4O2/c1-2-27-20(26)18-16-7-12-9-22-19(11-3-4-11)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,2-4,7H2,1H3
InChIKeyDIAFBFSXYSSZKC-UHFFFAOYSA-N
XLogP3.43
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

HZ-166
CID 10309028
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
CID 127044891
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 11-methyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,10,12,14,16-octaene-5-carboxylate
CID 9858249
Ethyl 16-fluoro-11-methyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 9923919
Ethyl 2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,10,12,14,16-octaene-5-carboxylate
CID 9926552
Ethyl 11-cyclopropyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,10,12,14,16-octaene-5-carboxylate
CID 9946182
Ethyl 11-propyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,10,12,14,16-octaene-5-carboxylate
CID 10154774
Ethyl 16-fluoro-11-propyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 10155774

Frequently Asked Questions

What is the IUPAC name of ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate?
The IUPAC name of ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate (CID 10133363) is ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate.
What is the SMILES notation for ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate?
The canonical SMILES for ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate is CCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1cc(F)ccc1-2.
What is the InChIKey of ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate?
The InChIKey is DIAFBFSXYSSZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-2-27-20(26)18-16-7-12-9-22-19(11-3-4-11)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,2-4,7H2,1H3.
What are the key properties of ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate?
ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate has a molecular weight of 364.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11-cyclopropyl-16-fluoro-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate is sourced from PubChem (CID 10133363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).