23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol

C25H24F7N5O2 — CID 163377267

IUPAC23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol
SMILESCC1(C)CC2CCCc3ccc(F)c(c3)C(O)(C(F)(F)F)c3nnc(o3)-c3nc(c(C(F)(F)F)cc3N)N2C1
InChIInChI=1S/C25H24F7N5O2/c1-22(2)10-13-5-3-4-12-6-7-16(26)14(8-12)23(38,25(30,31)32)21-36-35-20(39-21)18-17(33)9-15(24(27,28)29)19(34-18)37(13)11-22/h6-9,13,38H,3-5,10-11,33H2,1-2H3
InChIKeyOVPGTPDBSOTINC-UHFFFAOYSA-N
MW559.49 g/mol
LogP5.61
Rot. Bonds

About 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol

23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol (PubChem CID 163377267) has the molecular formula C25H24F7N5O2 and a molecular weight of 559.49 g/mol. Its IUPAC name is 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol.

Molecular Properties

Compound Name23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol
PubChem CID163377267
Molecular FormulaC25H24F7N5O2
Molecular Weight559.49 g/mol
Exact Mass559.18
IUPAC Name23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol
SMILESCC1(C)CC2CCCc3ccc(F)c(c3)C(O)(C(F)(F)F)c3nnc(o3)-c3nc(c(C(F)(F)F)cc3N)N2C1
InChIInChI=1S/C25H24F7N5O2/c1-22(2)10-13-5-3-4-12-6-7-16(26)14(8-12)23(38,25(30,31)32)21-36-35-20(39-21)18-17(33)9-15(24(27,28)29)19(34-18)37(13)11-22/h6-9,13,38H,3-5,10-11,33H2,1-2H3
InChIKeyOVPGTPDBSOTINC-UHFFFAOYSA-N
XLogP5.61
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol?
The IUPAC name of 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol (CID 163377267) is 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol.
What is the SMILES notation for 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol?
The canonical SMILES for 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol is CC1(C)CC2CCCc3ccc(F)c(c3)C(O)(C(F)(F)F)c3nnc(o3)-c3nc(c(C(F)(F)F)cc3N)N2C1.
What is the InChIKey of 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol?
The InChIKey is OVPGTPDBSOTINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F7N5O2/c1-22(2)10-13-5-3-4-12-6-7-16(26)14(8-12)23(38,25(30,31)32)21-36-35-20(39-21)18-17(33)9-15(24(27,28)29)19(34-18)37(13)11-22/h6-9,13,38H,3-5,10-11,33H2,1-2H3.
What are the key properties of 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol?
23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol has a molecular weight of 559.49 g/mol, XLogP of 5.61, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 23-amino-8-fluoro-17,17-dimethyl-6,21-bis(trifluoromethyl)-26-oxa-3,4,19,24-tetrazapentacyclo[18.3.1.12,5.17,11.015,19]hexacosa-1(23),2,4,7,9,11(25),20(24),21-octaen-6-ol is sourced from PubChem (CID 163377267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).