(6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol

C19H21F6N5O2 — CID 163376844

IUPAC(6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol
SMILESNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCCC1(CCC1)N2
InChIInChI=1S/C19H21F6N5O2/c20-18(21,22)10-9-11(26)12-14-29-30-15(32-14)17(31,19(23,24)25)8-3-1-2-5-16(6-4-7-16)28-13(10)27-12/h9,31H,1-8,26H2,(H,27,28)/t17-/m1/s1
InChIKeyGLVPWEGECZWMAH-QGZVFWFLSA-N
MW465.40 g/mol
LogP4.78
Rot. Bonds

About (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol

(6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol (PubChem CID 163376844) has the molecular formula C19H21F6N5O2 and a molecular weight of 465.40 g/mol. Its IUPAC name is (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol.

Molecular Properties

Compound Name(6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol
PubChem CID163376844
Molecular FormulaC19H21F6N5O2
Molecular Weight465.40 g/mol
Exact Mass465.16
IUPAC Name(6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol
SMILESNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCCC1(CCC1)N2
InChIInChI=1S/C19H21F6N5O2/c20-18(21,22)10-9-11(26)12-14-29-30-15(32-14)17(31,19(23,24)25)8-3-1-2-5-16(6-4-7-16)28-13(10)27-12/h9,31H,1-8,26H2,(H,27,28)/t17-/m1/s1
InChIKeyGLVPWEGECZWMAH-QGZVFWFLSA-N
XLogP4.78
TPSA110.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.40
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol?
The IUPAC name of (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol (CID 163376844) is (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol.
What is the SMILES notation for (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol?
The canonical SMILES for (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol is Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCCC1(CCC1)N2.
What is the InChIKey of (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol?
The InChIKey is GLVPWEGECZWMAH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21F6N5O2/c20-18(21,22)10-9-11(26)12-14-29-30-15(32-14)17(31,19(23,24)25)8-3-1-2-5-16(6-4-7-16)28-13(10)27-12/h9,31H,1-8,26H2,(H,27,28)/t17-/m1/s1.
What are the key properties of (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol?
(6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol has a molecular weight of 465.40 g/mol, XLogP of 4.78, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-17-amino-6,15-bis(trifluoromethyl)spiro[19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaene-12,1'-cyclobutane]-6-ol is sourced from PubChem (CID 163376844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).