(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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

C120H142F2N18O10 — CID 167663942

IUPAC(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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
SMILESCC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCC(C)(C)CCC[C@@]13C[C@@H](C(=O)Cc4nc(C)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCC(F)(F)CCC[C@@]13C[C@@H](C(=O)Cc4nc(C)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCCC(=O)CC(C)(C)[C@H]1C[C@@H](C(=O)Cc3nc(C)ccc3C)N(C1)C(=O)C2
InChIInChI=1S/C41H50N6O3.C40H48N6O4.C39H44F2N6O3/c1-25-12-13-26(2)44-33(25)19-35(49)34-20-41-16-10-15-40(5,6)14-9-7-8-11-29-17-30(31-22-42-28(4)43-23-31)18-32-38(27(3)48)45-46(39(29)32)24-37(50)47(34)36(41)21-41;1-24-13-14-25(2)43-34(24)18-36(49)35-17-31-22-45(35)37(50)23-46-39-28(11-9-7-8-10-12-32(48)19-40(31,5)6)15-29(30-20-41-27(4)42-21-30)16-33(39)38(44-46)26(3)47;1-23-10-11-24(2)44-31(23)17-33(49)32-18-38-12-8-14-39(40,41)13-7-5-6-9-27-15-28(29-20-42-26(4)43-21-29)16-30-36(25(3)48)45-46(37(27)30)22-35(50)47(32)34(38)19-38/h12-13,17-18,22-23,34,36H,7-11,14-16,19-21,24H2,1-6H3;13-16,20-21,31,35H,7-12,17-19,22-23H2,1-6H3;10-11,15-16,20-21,32,34H,5-9,12-14,17-19,22H2,1-4H3/t34-,36+,41-;31-,35-;32-,34+,38-/m000/s1
InChIKeySJAHWZOKTNILCV-ZXUUAZIDSA-N
MW2034.57 g/mol
LogP21.15
Rot. Bonds15

About (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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

(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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 (PubChem CID 167663942) has the molecular formula C120H142F2N18O10 and a molecular weight of 2034.57 g/mol. Its IUPAC name is (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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.

Molecular Properties

Compound Name(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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
PubChem CID167663942
Molecular FormulaC120H142F2N18O10
Molecular Weight2034.57 g/mol
Exact Mass2033.11
IUPAC Name(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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
SMILESCC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCC(C)(C)CCC[C@@]13C[C@@H](C(=O)Cc4nc(C)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCC(F)(F)CCC[C@@]13C[C@@H](C(=O)Cc4nc(C)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCCC(=O)CC(C)(C)[C@H]1C[C@@H](C(=O)Cc3nc(C)ccc3C)N(C1)C(=O)C2
InChIInChI=1S/C41H50N6O3.C40H48N6O4.C39H44F2N6O3/c1-25-12-13-26(2)44-33(25)19-35(49)34-20-41-16-10-15-40(5,6)14-9-7-8-11-29-17-30(31-22-42-28(4)43-23-31)18-32-38(27(3)48)45-46(39(29)32)24-37(50)47(34)36(41)21-41;1-24-13-14-25(2)43-34(24)18-36(49)35-17-31-22-45(35)37(50)23-46-39-28(11-9-7-8-10-12-32(48)19-40(31,5)6)15-29(30-20-41-27(4)42-21-30)16-33(39)38(44-46)26(3)47;1-23-10-11-24(2)44-31(23)17-33(49)32-18-38-12-8-14-39(40,41)13-7-5-6-9-27-15-28(29-20-42-26(4)43-21-29)16-30-36(25(3)48)45-46(37(27)30)22-35(50)47(32)34(38)19-38/h12-13,17-18,22-23,34,36H,7-11,14-16,19-21,24H2,1-6H3;13-16,20-21,31,35H,7-12,17-19,22-23H2,1-6H3;10-11,15-16,20-21,32,34H,5-9,12-14,17-19,22H2,1-4H3/t34-,36+,41-;31-,35-;32-,34+,38-/m000/s1
InChIKeySJAHWZOKTNILCV-ZXUUAZIDSA-N
XLogP21.15
TPSA349.89 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.57
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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 with MolForge

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Related Compounds

(1R,2S,5S)-3-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)-3-azabicyclo[3.1.0] hexane-2-carboxamide
CID 126642790
US10822352, Comp No. 640
CID 126642807
(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(((3S,5S,7S)-adamantan-1-yl)methyl)-4-fluoropyrrolidine-2-carboxamide
CID 126642827
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126642897
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-5-methyl-N-(1-(2,2,2-1H-pyrazol-3-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643032
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-((Z)-2-fluoro-3-phenylbut-2-en-1-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643085
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(1-(2,2,2-trifluoroethyl) pyrrolidin-3-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643098
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-((R)-3-fluoro-4-methylpent-3-en-2-yl)-5-methyl-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643110
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(3-cyclopropyl-2-fluorobut-2-en-1-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643132
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CID 126643194
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-5-methyl-N-(6-(trifluoromethyl) pyridin-2-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643253
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-((S)-3-fluoro-4-methylpent-3-en-2-yl)-5-methyl-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643306

Frequently Asked Questions

What is the IUPAC name of (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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?
The IUPAC name of (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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 167663942) is (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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.
What is the SMILES notation for (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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?
The canonical SMILES for (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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 is CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCC(C)(C)CCC[C@@]13C[C@@H](C(=O)Cc4nc(C)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCC(F)(F)CCC[C@@]13C[C@@H](C(=O)Cc4nc(C)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)CCCCCCC(=O)CC(C)(C)[C@H]1C[C@@H](C(=O)Cc3nc(C)ccc3C)N(C1)C(=O)C2.
What is the InChIKey of (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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?
The InChIKey is SJAHWZOKTNILCV-ZXUUAZIDSA-N. The full InChI is InChI=1S/C41H50N6O3.C40H48N6O4.C39H44F2N6O3/c1-25-12-13-26(2)44-33(25)19-35(49)34-20-41-16-10-15-40(5,6)14-9-7-8-11-29-17-30(31-22-42-28(4)43-23-31)18-32-38(27(3)48)45-46(39(29)32)24-37(50)47(34)36(41)21-41;1-24-13-14-25(2)43-34(24)18-36(49)35-17-31-22-45(35)37(50)23-46-39-28(11-9-7-8-10-12-32(48)19-40(31,5)6)15-29(30-20-41-27(4)42-21-30)16-33(39)38(44-46)26(3)47;1-23-10-11-24(2)44-31(23)17-33(49)32-18-38-12-8-14-39(40,41)13-7-5-6-9-27-15-28(29-20-42-26(4)43-21-29)16-30-36(25(3)48)45-46(37(27)30)22-35(50)47(32)34(38)19-38/h12-13,17-18,22-23,34,36H,7-11,14-16,19-21,24H2,1-6H3;13-16,20-21,31,35H,7-12,17-19,22-23H2,1-6H3;10-11,15-16,20-21,32,34H,5-9,12-14,17-19,22H2,1-4H3/t34-,36+,41-;31-,35-;32-,34+,38-/m000/s1.
What are the key properties of (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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?
(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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 has a molecular weight of 2034.57 g/mol, XLogP of 21.15, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-difluoro-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(5S,7R)-22-acetyl-5-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-8,8-dimethyl-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 is sourced from PubChem (CID 167663942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).