(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide

C109H132F6N18O13 — CID 167665574

IUPAC(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide
SMILESCC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCCC(=O)CC[C@@]1(F)C[C@@H](C(=O)N[C@H](C)CC(C)C)N(C1)C(=O)C2.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCC[C@@H](C)C(=O)CC[C@@]1(F)C[C@@H](C(=O)Cc3nc(C(F)(F)F)ccc3C)N(C1)C(=O)C2.COC[C@@H](C)NC(=O)[C@@H]1C[C@]2(F)CCC(=O)CCCCCCc3cc(-c4cnc(C)nc4)cc4c(C(C)=O)nn(c34)CC(=O)N1C2
InChIInChI=1S/C39H42F4N6O4.C36H47FN6O4.C34H43FN6O5/c1-22-10-11-34(39(41,42)43)46-30(22)16-33(52)31-17-38(40)13-12-32(51)23(2)8-6-5-7-9-26-14-27(28-18-44-25(4)45-19-28)15-29-36(24(3)50)47-49(37(26)29)20-35(53)48(31)21-38;1-22(2)14-23(3)40-35(47)31-17-36(37)13-12-29(45)11-9-7-6-8-10-26-15-27(28-18-38-25(5)39-19-28)16-30-33(24(4)44)41-43(34(26)30)20-32(46)42(31)21-36;1-21(19-46-4)38-33(45)29-15-34(35)12-11-27(43)10-8-6-5-7-9-24-13-25(26-16-36-23(3)37-17-26)14-28-31(22(2)42)39-41(32(24)28)18-30(44)40(29)20-34/h10-11,14-15,18-19,23,31H,5-9,12-13,16-17,20-21H2,1-4H3;15-16,18-19,22-23,31H,6-14,17,20-21H2,1-5H3,(H,40,47);13-14,16-17,21,29H,5-12,15,18-20H2,1-4H3,(H,38,45)/t23-,31+,38-;23-,31+,36-;21-,29+,34-/m111/s1
InChIKeySOWPWAFCXFBIRT-JUXRPOATSA-N
MW2016.36 g/mol
LogP16.99
Rot. Bonds17

About (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide

(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide (PubChem CID 167665574) has the molecular formula C109H132F6N18O13 and a molecular weight of 2016.36 g/mol. Its IUPAC name is (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide.

Molecular Properties

Compound Name(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide
PubChem CID167665574
Molecular FormulaC109H132F6N18O13
Molecular Weight2016.36 g/mol
Exact Mass2015.01
IUPAC Name(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide
SMILESCC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCCC(=O)CC[C@@]1(F)C[C@@H](C(=O)N[C@H](C)CC(C)C)N(C1)C(=O)C2.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCC[C@@H](C)C(=O)CC[C@@]1(F)C[C@@H](C(=O)Cc3nc(C(F)(F)F)ccc3C)N(C1)C(=O)C2.COC[C@@H](C)NC(=O)[C@@H]1C[C@]2(F)CCC(=O)CCCCCCc3cc(-c4cnc(C)nc4)cc4c(C(C)=O)nn(c34)CC(=O)N1C2
InChIInChI=1S/C39H42F4N6O4.C36H47FN6O4.C34H43FN6O5/c1-22-10-11-34(39(41,42)43)46-30(22)16-33(52)31-17-38(40)13-12-32(51)23(2)8-6-5-7-9-26-14-27(28-18-44-25(4)45-19-28)15-29-36(24(3)50)47-49(37(26)29)20-35(53)48(31)21-38;1-22(2)14-23(3)40-35(47)31-17-36(37)13-12-29(45)11-9-7-6-8-10-26-15-27(28-18-38-25(5)39-19-28)16-30-33(24(4)44)41-43(34(26)30)20-32(46)42(31)21-36;1-21(19-46-4)38-33(45)29-15-34(35)12-11-27(43)10-8-6-5-7-9-24-13-25(26-16-36-23(3)37-17-26)14-28-31(22(2)42)39-41(32(24)28)18-30(44)40(29)20-34/h10-11,14-15,18-19,23,31H,5-9,12-13,16-17,20-21H2,1-4H3;15-16,18-19,22-23,31H,6-14,17,20-21H2,1-5H3,(H,40,47);13-14,16-17,21,29H,5-12,15,18-20H2,1-4H3,(H,38,45)/t23-,31+,38-;23-,31+,36-;21-,29+,34-/m111/s1
InChIKeySOWPWAFCXFBIRT-JUXRPOATSA-N
XLogP16.99
TPSA391.54 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.36
LogP ≤ 516.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide with MolForge

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Related Compounds

(5S,7R)-22-acetyl-5-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-7-fluoro-19-(2-methylpyrimidin-5-yl)-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione
CID 157362590
(1R,5R,22R,25S)-16-acetyl-5-methyl-13-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione
CID 167670529
(1R,22R,25S)-16-acetyl-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione
CID 167676022
(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-7-fluoro-19-(2-methylpropylamino)-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione
CID 167594060
(1R,8E,22R,25S)-16-acetyl-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione
CID 167711926
(12S)-18-acetyl-12-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methyl-21-(2-methylpyrimidin-5-yl)-13,16,17-triazatricyclo[14.6.1.019,23]tricosa-1(23),17,19,21-tetraen-14-one
CID 167686699
(1R,5R,8E,22R,25S)-16-acetyl-5-methyl-13-(5-methylpyrazin-2-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione
CID 167644183
(1R,22R,25S)-16-acetyl-25-[2-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)acetyl]-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione
CID 159720625
(5S,7S,11S,14E)-24-acetyl-7,9,11-trimethyl-21-(2-methylpyrimidin-5-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-3,10-dioxo-1,4,9,25-tetrazatetracyclo[17.6.1.14,7.023,26]heptacosa-14,19(26),20,22,24-pentaene-5-carboxamide
CID 170089274
(1S,25S)-16-acetyl-23-methyl-13-(2-methylpyrimidin-5-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 156566873
(1R,23R,26S)-17-acetyl-26-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-14-(2-methylpyrimidin-5-yl)-18,19,22-triazapentacyclo[20.2.2.112,16.01,23.019,27]heptacosa-8,12(27),13,15,17-pentaene-4,21-dione
CID 158045485
(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-3-oxa-10,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11,13,15(26),16-pentaene-9,20-dione
CID 167540821

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide?
The IUPAC name of (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide (CID 167665574) is (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide.
What is the SMILES notation for (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide?
The canonical SMILES for (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide is CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCCC(=O)CC[C@@]1(F)C[C@@H](C(=O)N[C@H](C)CC(C)C)N(C1)C(=O)C2.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCC[C@@H](C)C(=O)CC[C@@]1(F)C[C@@H](C(=O)Cc3nc(C(F)(F)F)ccc3C)N(C1)C(=O)C2.COC[C@@H](C)NC(=O)[C@@H]1C[C@]2(F)CCC(=O)CCCCCCc3cc(-c4cnc(C)nc4)cc4c(C(C)=O)nn(c34)CC(=O)N1C2.
What is the InChIKey of (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide?
The InChIKey is SOWPWAFCXFBIRT-JUXRPOATSA-N. The full InChI is InChI=1S/C39H42F4N6O4.C36H47FN6O4.C34H43FN6O5/c1-22-10-11-34(39(41,42)43)46-30(22)16-33(52)31-17-38(40)13-12-32(51)23(2)8-6-5-7-9-26-14-27(28-18-44-25(4)45-19-28)15-29-36(24(3)50)47-49(37(26)29)20-35(53)48(31)21-38;1-22(2)14-23(3)40-35(47)31-17-36(37)13-12-29(45)11-9-7-6-8-10-26-15-27(28-18-38-25(5)39-19-28)16-30-33(24(4)44)41-43(34(26)30)20-32(46)42(31)21-36;1-21(19-46-4)38-33(45)29-15-34(35)12-11-27(43)10-8-6-5-7-9-24-13-25(26-16-36-23(3)37-17-26)14-28-31(22(2)42)39-41(32(24)28)18-30(44)40(29)20-34/h10-11,14-15,18-19,23,31H,5-9,12-13,16-17,20-21H2,1-4H3;15-16,18-19,22-23,31H,6-14,17,20-21H2,1-5H3,(H,40,47);13-14,16-17,21,29H,5-12,15,18-20H2,1-4H3,(H,38,45)/t23-,31+,38-;23-,31+,36-;21-,29+,34-/m111/s1.
What are the key properties of (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide?
(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide has a molecular weight of 2016.36 g/mol, XLogP of 16.99, 17 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide is sourced from PubChem (CID 167665574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).