(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide

C176H151Cl4F6N21O22 — CID 162060038

IUPAC(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide
SMILESCC1(C)COCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.CN1C(=O)c2ccc(-c3cc(Cl)c4oc(CCC(=O)/C=C/c5ccc(N)nc5)cc4c3)cc2C1=O.CN1Cc2cc(-c3cc(Cl)c4oc(CNC(=O)/C=C/c5ccc(N)nc5)cc4c3)ccc2C1=O.C[C@@H]1COCCN1C(=O)c1ccc(-c2cc(Cl)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.C[C@H]1COCCN1C(=O)c1ccc(-c2cc(Cl)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.Nc1ccc(/C=C/C(=O)CCc2cc3cc(-c4ccc(C(=O)NNc5ccccn5)cc4)cc(C(F)(F)F)c3o2)cn1
InChIInChI=1S/C32H30F3N3O4.C31H24F3N5O3.2C30H28ClN3O4.C27H20ClN3O4.C26H21ClN4O3/c1-31(2)19-41-14-13-38(31)30(40)22-7-5-21(6-8-22)23-15-24-16-26(42-29(24)27(17-23)32(33,34)35)11-10-25(39)9-3-20-4-12-28(36)37-18-20;32-31(33,34)26-17-22(20-6-8-21(9-7-20)30(41)39-38-28-3-1-2-14-36-28)15-23-16-25(42-29(23)26)12-11-24(40)10-4-19-5-13-27(35)37-18-19;2*1-19-18-37-13-12-34(19)30(36)22-6-4-21(5-7-22)23-14-24-15-26(38-29(24)27(31)16-23)10-9-25(35)8-2-20-3-11-28(32)33-17-20;1-31-26(33)21-8-4-16(12-22(21)27(31)34)17-10-18-11-20(35-25(18)23(28)13-17)7-6-19(32)5-2-15-3-9-24(29)30-14-15;1-31-14-19-8-16(4-5-21(19)26(31)33)17-9-18-10-20(34-25(18)22(27)11-17)13-30-24(32)7-3-15-2-6-23(28)29-12-15/h3-9,12,15-18H,10-11,13-14,19H2,1-2H3,(H2,36,37);1-10,13-18H,11-12H2,(H2,35,37)(H,36,38)(H,39,41);2*2-8,11,14-17,19H,9-10,12-13,18H2,1H3,(H2,32,33);2-5,8-14H,6-7H2,1H3,(H2,29,30);2-12H,13-14H2,1H3,(H2,28,29)(H,30,32)/b9-3+;10-4+;2*8-2+;5-2+;7-3+/t;;2*19-;;/m..10../s1
InChIKeyYZSAUIBDUHDDQJ-KYDYGZDRSA-N
MW3168.07 g/mol
LogP34.45
Rot. Bonds41

About (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide

(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide (PubChem CID 162060038) has the molecular formula C176H151Cl4F6N21O22 and a molecular weight of 3168.07 g/mol. Its IUPAC name is (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound Name(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide
PubChem CID162060038
Molecular FormulaC176H151Cl4F6N21O22
Molecular Weight3168.07 g/mol
Exact Mass3164.00
IUPAC Name(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide
SMILESCC1(C)COCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.CN1C(=O)c2ccc(-c3cc(Cl)c4oc(CCC(=O)/C=C/c5ccc(N)nc5)cc4c3)cc2C1=O.CN1Cc2cc(-c3cc(Cl)c4oc(CNC(=O)/C=C/c5ccc(N)nc5)cc4c3)ccc2C1=O.C[C@@H]1COCCN1C(=O)c1ccc(-c2cc(Cl)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.C[C@H]1COCCN1C(=O)c1ccc(-c2cc(Cl)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.Nc1ccc(/C=C/C(=O)CCc2cc3cc(-c4ccc(C(=O)NNc5ccccn5)cc4)cc(C(F)(F)F)c3o2)cn1
InChIInChI=1S/C32H30F3N3O4.C31H24F3N5O3.2C30H28ClN3O4.C27H20ClN3O4.C26H21ClN4O3/c1-31(2)19-41-14-13-38(31)30(40)22-7-5-21(6-8-22)23-15-24-16-26(42-29(24)27(17-23)32(33,34)35)11-10-25(39)9-3-20-4-12-28(36)37-18-20;32-31(33,34)26-17-22(20-6-8-21(9-7-20)30(41)39-38-28-3-1-2-14-36-28)15-23-16-25(42-29(23)26)12-11-24(40)10-4-19-5-13-27(35)37-18-19;2*1-19-18-37-13-12-34(19)30(36)22-6-4-21(5-7-22)23-14-24-15-26(38-29(24)27(31)16-23)10-9-25(35)8-2-20-3-11-28(32)33-17-20;1-31-26(33)21-8-4-16(12-22(21)27(31)34)17-10-18-11-20(35-25(18)23(28)13-17)7-6-19(32)5-2-15-3-9-24(29)30-14-15;1-31-14-19-8-16(4-5-21(19)26(31)33)17-9-18-10-20(34-25(18)22(27)11-17)13-30-24(32)7-3-15-2-6-23(28)29-12-15/h3-9,12,15-18H,10-11,13-14,19H2,1-2H3,(H2,36,37);1-10,13-18H,11-12H2,(H2,35,37)(H,36,38)(H,39,41);2*2-8,11,14-17,19H,9-10,12-13,18H2,1H3,(H2,32,33);2-5,8-14H,6-7H2,1H3,(H2,29,30);2-12H,13-14H2,1H3,(H2,28,29)(H,30,32)/b9-3+;10-4+;2*8-2+;5-2+;7-3+/t;;2*19-;;/m..10../s1
InChIKeyYZSAUIBDUHDDQJ-KYDYGZDRSA-N
XLogP34.45
TPSA627.08 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003168.07
LogP ≤ 534.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide?
The IUPAC name of (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide (CID 162060038) is (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide?
The canonical SMILES for (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide is CC1(C)COCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.CN1C(=O)c2ccc(-c3cc(Cl)c4oc(CCC(=O)/C=C/c5ccc(N)nc5)cc4c3)cc2C1=O.CN1Cc2cc(-c3cc(Cl)c4oc(CNC(=O)/C=C/c5ccc(N)nc5)cc4c3)ccc2C1=O.C[C@@H]1COCCN1C(=O)c1ccc(-c2cc(Cl)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.C[C@H]1COCCN1C(=O)c1ccc(-c2cc(Cl)c3oc(CCC(=O)/C=C/c4ccc(N)nc4)cc3c2)cc1.Nc1ccc(/C=C/C(=O)CCc2cc3cc(-c4ccc(C(=O)NNc5ccccn5)cc4)cc(C(F)(F)F)c3o2)cn1.
What is the InChIKey of (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide?
The InChIKey is YZSAUIBDUHDDQJ-KYDYGZDRSA-N. The full InChI is InChI=1S/C32H30F3N3O4.C31H24F3N5O3.2C30H28ClN3O4.C27H20ClN3O4.C26H21ClN4O3/c1-31(2)19-41-14-13-38(31)30(40)22-7-5-21(6-8-22)23-15-24-16-26(42-29(24)27(17-23)32(33,34)35)11-10-25(39)9-3-20-4-12-28(36)37-18-20;32-31(33,34)26-17-22(20-6-8-21(9-7-20)30(41)39-38-28-3-1-2-14-36-28)15-23-16-25(42-29(23)26)12-11-24(40)10-4-19-5-13-27(35)37-18-19;2*1-19-18-37-13-12-34(19)30(36)22-6-4-21(5-7-22)23-14-24-15-26(38-29(24)27(31)16-23)10-9-25(35)8-2-20-3-11-28(32)33-17-20;1-31-26(33)21-8-4-16(12-22(21)27(31)34)17-10-18-11-20(35-25(18)23(28)13-17)7-6-19(32)5-2-15-3-9-24(29)30-14-15;1-31-14-19-8-16(4-5-21(19)26(31)33)17-9-18-10-20(34-25(18)22(27)11-17)13-30-24(32)7-3-15-2-6-23(28)29-12-15/h3-9,12,15-18H,10-11,13-14,19H2,1-2H3,(H2,36,37);1-10,13-18H,11-12H2,(H2,35,37)(H,36,38)(H,39,41);2*2-8,11,14-17,19H,9-10,12-13,18H2,1H3,(H2,32,33);2-5,8-14H,6-7H2,1H3,(H2,29,30);2-12H,13-14H2,1H3,(H2,28,29)(H,30,32)/b9-3+;10-4+;2*8-2+;5-2+;7-3+/t;;2*19-;;/m..10../s1.
What are the key properties of (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide?
(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide has a molecular weight of 3168.07 g/mol, XLogP of 34.45, 41 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(2-methyl-1-oxo-3H-isoindol-5-yl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;5-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-chloro-1-benzofuran-5-yl]-2-methylisoindole-1,3-dione;4-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]-N'-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 162060038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).