(15R)-23-amino-8-methoxy-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

C24H23F6N5O3 — CID 163377301

IUPAC(15R)-23-amino-8-methoxy-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
SMILESCOc1ccc2cc1C(O)(C(F)(F)F)c1nnc(o1)-c1nc(c(C(F)(F)F)cc1N)N1CCC[C@H]1CCC2
InChIInChI=1S/C24H23F6N5O3/c1-37-17-8-7-12-4-2-5-13-6-3-9-35(13)19-15(23(25,26)27)11-16(31)18(32-19)20-33-34-21(38-20)22(36,14(17)10-12)24(28,29)30/h7-8,10-11,13,36H,2-6,9,31H2,1H3/t13-,22?/m1/s1
InChIKeyLPDDJCQNFYMHHP-BXWDTWGJSA-N
MW543.47 g/mol
LogP4.84
Rot. Bonds1

About (15R)-23-amino-8-methoxy-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

(15R)-23-amino-8-methoxy-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 163377301) has the molecular formula C24H23F6N5O3 and a molecular weight of 543.47 g/mol. Its IUPAC name is (15R)-23-amino-8-methoxy-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 Name(15R)-23-amino-8-methoxy-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 CID163377301
Molecular FormulaC24H23F6N5O3
Molecular Weight543.47 g/mol
Exact Mass543.17
IUPAC Name(15R)-23-amino-8-methoxy-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
SMILESCOc1ccc2cc1C(O)(C(F)(F)F)c1nnc(o1)-c1nc(c(C(F)(F)F)cc1N)N1CCC[C@H]1CCC2
InChIInChI=1S/C24H23F6N5O3/c1-37-17-8-7-12-4-2-5-13-6-3-9-35(13)19-15(23(25,26)27)11-16(31)18(32-19)20-33-34-21(38-20)22(36,14(17)10-12)24(28,29)30/h7-8,10-11,13,36H,2-6,9,31H2,1H3/t13-,22?/m1/s1
InChIKeyLPDDJCQNFYMHHP-BXWDTWGJSA-N
XLogP4.84
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (15R)-23-amino-8-methoxy-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 (15R)-23-amino-8-methoxy-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 (15R)-23-amino-8-methoxy-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 163377301) is (15R)-23-amino-8-methoxy-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 (15R)-23-amino-8-methoxy-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 (15R)-23-amino-8-methoxy-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 COc1ccc2cc1C(O)(C(F)(F)F)c1nnc(o1)-c1nc(c(C(F)(F)F)cc1N)N1CCC[C@H]1CCC2.
What is the InChIKey of (15R)-23-amino-8-methoxy-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 LPDDJCQNFYMHHP-BXWDTWGJSA-N. The full InChI is InChI=1S/C24H23F6N5O3/c1-37-17-8-7-12-4-2-5-13-6-3-9-35(13)19-15(23(25,26)27)11-16(31)18(32-19)20-33-34-21(38-20)22(36,14(17)10-12)24(28,29)30/h7-8,10-11,13,36H,2-6,9,31H2,1H3/t13-,22?/m1/s1.
What are the key properties of (15R)-23-amino-8-methoxy-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?
(15R)-23-amino-8-methoxy-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 543.47 g/mol, XLogP of 4.84, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-23-amino-8-methoxy-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 163377301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).