(20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one

C24H20FN5O2 — CID 171529609

IUPAC(20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one
SMILESCCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1ncccc1C2=O
InChIInChI=1S/C24H20FN5O2/c1-3-30-22-14-9-20(24(26)28-11-14)32-13(2)18-10-15(25)6-7-16(18)21-17(5-4-8-27-21)23(31)19(22)12-29-30/h4-13H,3H2,1-2H3,(H2,26,28)/t13-/m1/s1
InChIKeyUZTKVWRPAWJVBU-CYBMUJFWSA-N
MW429.46 g/mol
LogP4.43
Rot. Bonds1

About (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one

(20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one (PubChem CID 171529609) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one.

Molecular Properties

Compound Name(20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one
PubChem CID171529609
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name(20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one
SMILESCCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1ncccc1C2=O
InChIInChI=1S/C24H20FN5O2/c1-3-30-22-14-9-20(24(26)28-11-14)32-13(2)18-10-15(25)6-7-16(18)21-17(5-4-8-27-21)23(31)19(22)12-29-30/h4-13H,3H2,1-2H3,(H2,26,28)/t13-/m1/s1
InChIKeyUZTKVWRPAWJVBU-CYBMUJFWSA-N
XLogP4.43
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one?
The IUPAC name of (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one (CID 171529609) is (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one.
What is the SMILES notation for (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one?
The canonical SMILES for (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one is CCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1ncccc1C2=O.
What is the InChIKey of (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one?
The InChIKey is UZTKVWRPAWJVBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-3-30-22-14-9-20(24(26)28-11-14)32-13(2)18-10-15(25)6-7-16(18)21-17(5-4-8-27-21)23(31)19(22)12-29-30/h4-13H,3H2,1-2H3,(H2,26,28)/t13-/m1/s1.
What are the key properties of (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one?
(20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one has a molecular weight of 429.46 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (20R)-23-amino-3-ethyl-17-fluoro-20-methyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-7-one is sourced from PubChem (CID 171529609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).