(20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine

C25H24FN5O — CID 164999493

IUPAC(20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine
SMILESCCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(C)ccc1-c1c(F)cncc1C2
InChIInChI=1S/C25H24FN5O/c1-4-31-24-17(12-30-31)8-16-10-28-13-21(26)23(16)19-6-5-14(2)7-20(19)15(3)32-22-9-18(24)11-29-25(22)27/h5-7,9-13,15H,4,8H2,1-3H3,(H2,27,29)/t15-/m1/s1
InChIKeyAEARGLMUUKASJZ-OAHLLOKOSA-N
MW429.50 g/mol
LogP5.10
Rot. Bonds1

About (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine

(20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine (PubChem CID 164999493) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine.

Molecular Properties

Compound Name(20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine
PubChem CID164999493
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name(20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine
SMILESCCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(C)ccc1-c1c(F)cncc1C2
InChIInChI=1S/C25H24FN5O/c1-4-31-24-17(12-30-31)8-16-10-28-13-21(26)23(16)19-6-5-14(2)7-20(19)15(3)32-22-9-18(24)11-29-25(22)27/h5-7,9-13,15H,4,8H2,1-3H3,(H2,27,29)/t15-/m1/s1
InChIKeyAEARGLMUUKASJZ-OAHLLOKOSA-N
XLogP5.10
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine 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 (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine?
The IUPAC name of (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine (CID 164999493) is (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine.
What is the SMILES notation for (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine?
The canonical SMILES for (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine is CCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(C)ccc1-c1c(F)cncc1C2.
What is the InChIKey of (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine?
The InChIKey is AEARGLMUUKASJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-4-31-24-17(12-30-31)8-16-10-28-13-21(26)23(16)19-6-5-14(2)7-20(19)15(3)32-22-9-18(24)11-29-25(22)27/h5-7,9-13,15H,4,8H2,1-3H3,(H2,27,29)/t15-/m1/s1.
What are the key properties of (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine?
(20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine has a molecular weight of 429.50 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (20R)-3-ethyl-12-fluoro-17,20-dimethyl-21-oxa-3,4,10,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8,10,12,14(19),15,17,22,24-undecaen-23-amine is sourced from PubChem (CID 164999493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).