17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol

C19H26F3N5O3 — CID 166178021

IUPAC17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
SMILESCOCCN1CCCCCCC(C)(O)c2nnc(o2)-c2nc1c(C(F)(F)F)cc2N
InChIInChI=1S/C19H26F3N5O3/c1-18(28)7-5-3-4-6-8-27(9-10-29-2)15-12(19(20,21)22)11-13(23)14(24-15)16-25-26-17(18)30-16/h11,28H,3-10,23H2,1-2H3
InChIKeyIOWFTLCFIBXOKW-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.36
Rot. Bonds3

About 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol

17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol (PubChem CID 166178021) has the molecular formula C19H26F3N5O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol.

Molecular Properties

Compound Name17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
PubChem CID166178021
Molecular FormulaC19H26F3N5O3
Molecular Weight429.44 g/mol
Exact Mass429.20
IUPAC Name17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
SMILESCOCCN1CCCCCCC(C)(O)c2nnc(o2)-c2nc1c(C(F)(F)F)cc2N
InChIInChI=1S/C19H26F3N5O3/c1-18(28)7-5-3-4-6-8-27(9-10-29-2)15-12(19(20,21)22)11-13(23)14(24-15)16-25-26-17(18)30-16/h11,28H,3-10,23H2,1-2H3
InChIKeyIOWFTLCFIBXOKW-UHFFFAOYSA-N
XLogP3.36
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The IUPAC name of 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol (CID 166178021) is 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol.
What is the SMILES notation for 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The canonical SMILES for 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol is COCCN1CCCCCCC(C)(O)c2nnc(o2)-c2nc1c(C(F)(F)F)cc2N.
What is the InChIKey of 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The InChIKey is IOWFTLCFIBXOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O3/c1-18(28)7-5-3-4-6-8-27(9-10-29-2)15-12(19(20,21)22)11-13(23)14(24-15)16-25-26-17(18)30-16/h11,28H,3-10,23H2,1-2H3.
What are the key properties of 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol has a molecular weight of 429.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 17-amino-13-(2-methoxyethyl)-6-methyl-15-(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol is sourced from PubChem (CID 166178021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).