(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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide

C113H114F9N21O15 — CID 167540820

IUPAC(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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)C[C@@]4(COCC=C)C[C@@H]34)c12.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)NC(=O)CC/C=C\COC[C@@]13C[C@@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)NC(=O)CCCCCOC[C@@]13C[C@@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)N(C(=O)C2)[C@@H]1C3
InChIInChI=1S/C39H40F3N7O5.C37H38F3N7O5.C37H36F3N7O5/c1-6-8-9-34(52)46-29-14-25(26-18-43-24(5)44-19-26)13-27-36(23(4)50)47-48(37(27)29)20-35(53)49-30(16-38(17-33(38)49)21-54-12-7-2)31(51)15-28-22(3)10-11-32(45-28)39(40,41)42;2*1-20-8-9-30(37(38,39)40)43-26(20)13-29(49)28-14-36-15-31(36)47(28)33(51)18-46-35-25(34(45-46)21(2)48)11-23(24-16-41-22(3)42-17-24)12-27(35)44-32(50)7-5-4-6-10-52-19-36/h6-7,10-11,13-14,18-19,30,33H,1-2,8-9,12,15-17,20-21H2,3-5H3,(H,46,52);8-9,11-12,16-17,28,31H,4-7,10,13-15,18-19H2,1-3H3,(H,44,50);4,6,8-9,11-12,16-17,28,31H,5,7,10,13-15,18-19H2,1-3H3,(H,44,50)/b;;6-4-/t30-,33+,38-;2*28-,31+,36-/m000/s1
InChIKeyBDZYMLHZRVHDEP-VJVQKTOPSA-N
MW2177.27 g/mol
LogP16.64
Rot. Bonds25

About (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide

(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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide (PubChem CID 167540820) has the molecular formula C113H114F9N21O15 and a molecular weight of 2177.27 g/mol. Its IUPAC name is (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide.

Molecular Properties

Compound Name(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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide
PubChem CID167540820
Molecular FormulaC113H114F9N21O15
Molecular Weight2177.27 g/mol
Exact Mass2175.87
IUPAC Name(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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)C[C@@]4(COCC=C)C[C@@H]34)c12.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)NC(=O)CC/C=C\COC[C@@]13C[C@@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)NC(=O)CCCCCOC[C@@]13C[C@@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)N(C(=O)C2)[C@@H]1C3
InChIInChI=1S/C39H40F3N7O5.C37H38F3N7O5.C37H36F3N7O5/c1-6-8-9-34(52)46-29-14-25(26-18-43-24(5)44-19-26)13-27-36(23(4)50)47-48(37(27)29)20-35(53)49-30(16-38(17-33(38)49)21-54-12-7-2)31(51)15-28-22(3)10-11-32(45-28)39(40,41)42;2*1-20-8-9-30(37(38,39)40)43-26(20)13-29(49)28-14-36-15-31(36)47(28)33(51)18-46-35-25(34(45-46)21(2)48)11-23(24-16-41-22(3)42-17-24)12-27(35)44-32(50)7-5-4-6-10-52-19-36/h6-7,10-11,13-14,18-19,30,33H,1-2,8-9,12,15-17,20-21H2,3-5H3,(H,46,52);8-9,11-12,16-17,28,31H,4-7,10,13-15,18-19H2,1-3H3,(H,44,50);4,6,8-9,11-12,16-17,28,31H,5,7,10,13-15,18-19H2,1-3H3,(H,44,50)/b;;6-4-/t30-,33+,38-;2*28-,31+,36-/m000/s1
InChIKeyBDZYMLHZRVHDEP-VJVQKTOPSA-N
XLogP16.64
TPSA447.81 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002177.27
LogP ≤ 516.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide?
The IUPAC name of (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide (CID 167540820) is (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide.
What is the SMILES notation for (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide?
The canonical SMILES for (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide is C=CCCC(=O)Nc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)C[C@@]4(COCC=C)C[C@@H]34)c12.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)NC(=O)CC/C=C\COC[C@@]13C[C@@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)N(C(=O)C2)[C@@H]1C3.CC(=O)c1nn2c3c(cc(-c4cnc(C)nc4)cc13)NC(=O)CCCCCOC[C@@]13C[C@@H](C(=O)Cc4nc(C(F)(F)F)ccc4C)N(C(=O)C2)[C@@H]1C3.
What is the InChIKey of (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide?
The InChIKey is BDZYMLHZRVHDEP-VJVQKTOPSA-N. The full InChI is InChI=1S/C39H40F3N7O5.C37H38F3N7O5.C37H36F3N7O5/c1-6-8-9-34(52)46-29-14-25(26-18-43-24(5)44-19-26)13-27-36(23(4)50)47-48(37(27)29)20-35(53)49-30(16-38(17-33(38)49)21-54-12-7-2)31(51)15-28-22(3)10-11-32(45-28)39(40,41)42;2*1-20-8-9-30(37(38,39)40)43-26(20)13-29(49)28-14-36-15-31(36)47(28)33(51)18-46-35-25(34(45-46)21(2)48)11-23(24-16-41-22(3)42-17-24)12-27(35)44-32(50)7-5-4-6-10-52-19-36/h6-7,10-11,13-14,18-19,30,33H,1-2,8-9,12,15-17,20-21H2,3-5H3,(H,46,52);8-9,11-12,16-17,28,31H,4-7,10,13-15,18-19H2,1-3H3,(H,44,50);4,6,8-9,11-12,16-17,28,31H,5,7,10,13-15,18-19H2,1-3H3,(H,44,50)/b;;6-4-/t30-,33+,38-;2*28-,31+,36-/m000/s1.
What are the key properties of (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide?
(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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide has a molecular weight of 2177.27 g/mol, XLogP of 16.64, 25 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(1S,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-11,13,15(26),16-tetraene-9,20-dione;N-[3-acetyl-5-(2-methylpyrimidin-5-yl)-1-[2-[(1R,3S,5S)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazol-7-yl]pent-4-enamide is sourced from PubChem (CID 167540820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).