(19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one

C24H20FN7O2 — CID 152987102

IUPAC(19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one
SMILESC=Cc1cnc2nc3cn2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C=C)C3
InChIInChI=1S/C24H20FN7O2/c1-4-14-9-28-24-29-16-11-31(5-2)23(33)17-7-6-15(25)8-18(17)13(3)34-22-21(26)27-10-19(30-22)20(14)32(24)12-16/h4-10,12-13H,1-2,11H2,3H3,(H2,26,27)/t13-/m1/s1
InChIKeyUVNIVFSFZGXAQK-CYBMUJFWSA-N
MW457.47 g/mol
LogP3.79
Rot. Bonds2

About (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one

(19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one (PubChem CID 152987102) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one.

Molecular Properties

Compound Name(19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one
PubChem CID152987102
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name(19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one
SMILESC=Cc1cnc2nc3cn2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C=C)C3
InChIInChI=1S/C24H20FN7O2/c1-4-14-9-28-24-29-16-11-31(5-2)23(33)17-7-6-15(25)8-18(17)13(3)34-22-21(26)27-10-19(30-22)20(14)32(24)12-16/h4-10,12-13H,1-2,11H2,3H3,(H2,26,27)/t13-/m1/s1
InChIKeyUVNIVFSFZGXAQK-CYBMUJFWSA-N
XLogP3.79
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one with MolForge

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Related Compounds

23-amino-17-fluoro-5,12,20-trimethyl-21-oxa-3,7,9,12,24,26-hexazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(25),2(10),4,6,8,14(19),15,17,22(26),23-decaen-13-one
CID 123144417
19-amino-13-fluoro-8,16-dimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
CID 123486918
2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluoro-N-methyl-N-[(6-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]benzamide;(19R)-22-amino-16-fluoro-3,11,19-trimethyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one;(20R)-23-amino-17-fluoro-5,12,20-trimethyl-21-oxa-3,7,9,12,24,26-hexazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(25),2(10),4,6,8,14(19),15,17,22(26),23-decaen-13-one;5-bromo-3-[(1R)-1-(5-fluoro-2-iodophenyl)ethoxy]pyrazin-2-amine;N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-2-yl)methanamine
CID 157493261
19-amino-13-fluoro-4,16-dimethyl-9-oxospiro[17-oxa-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-8,3'-oxetane]-3-carbonitrile
CID 123298157
(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile
CID 167578643
15-fluoro-18-methyl-4-methylsulfanyl-11,19-dioxa-22,24-diazatetracyclo[18.3.1.02,7.012,17]tetracosa-1(23),2(7),3,5,12(17),13,15,20(24),21-nonaen-21-amine
CID 144822817
22-amino-16-fluoro-4,19-dimethyl-9,11-dioxo-20-oxa-11λ4-thia-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;ethane
CID 144822667
20-amino-14-fluoro-4,17,24-trimethyl-18-oxa-4,5,21,23,24-pentazapentacyclo[17.3.1.17,10.02,6.011,16]tetracosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile
CID 123563948
O-methyl 18-amino-6-fluoro-13-imino-3,11-dimethyl-10-oxo-2-oxa-11,17-diazatricyclo[13.3.1.04,9]nonadeca-1(18),4(9),5,7,15(19),16-hexaene-14-carbothioate
CID 123390824
(17R)-20-amino-14-fluoro-4,17-dimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile
CID 118003106
20-amino-14-fluoro-1',4,17-trimethylspiro[7,10,18-trioxa-4,5,21,23-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-9,3'-azetidine]-3-carbonitrile
CID 123393130
(17R)-20-amino-14-fluoro-4,17-dimethylspiro[7,10,18-trioxa-4,5,21,23-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-9,1'-cyclobutane]-3-carbonitrile
CID 144822857

Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one?
The IUPAC name of (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one (CID 152987102) is (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one.
What is the SMILES notation for (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one?
The canonical SMILES for (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one is C=Cc1cnc2nc3cn2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C=C)C3.
What is the InChIKey of (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one?
The InChIKey is UVNIVFSFZGXAQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-4-14-9-28-24-29-16-11-31(5-2)23(33)17-7-6-15(25)8-18(17)13(3)34-22-21(26)27-10-19(30-22)20(14)32(24)12-16/h4-10,12-13H,1-2,11H2,3H3,(H2,26,27)/t13-/m1/s1.
What are the key properties of (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one?
(19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one has a molecular weight of 457.47 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-22-amino-3,11-bis(ethenyl)-16-fluoro-19-methyl-20-oxa-5,7,11,23,25,26-hexazapentacyclo[19.3.1.16,9.02,7.013,18]hexacosa-1(24),2,4,6(26),8,13(18),14,16,21(25),22-decaen-12-one is sourced from PubChem (CID 152987102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).