(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide

C142H143Cl5N22O17S — CID 158134279

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
SMILESC=C(c1ccc(-c2ccc(Cl)c3c2CC(CNC(=O)/C=C/c2ccc(N)nc2)O3)nc1)N1CCOCC1.C=C(c1cccc(-c2ccc(Cl)c3c2CC(CNC(=O)/C=C/c2ccc(N)nc2)O3)c1)N1CCOCC1.Nc1ccc(/C=C/C(=O)NCC2Cc3c(-c4cncc(C(=O)N5CCOCC5)c4)ccc(Cl)c3O2)cn1.Nc1ccc(/C=C/C(=O)NCC2Cc3cc(-c4ccc(CC(=O)N5CCCCC5)cc4)cc(Cl)c3O2)cn1.Nc1ccc(/C=C/C(=O)NCC2Cc3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc(Cl)c3O2)cn1
InChIInChI=1S/C30H31ClN4O3.C29H29ClN4O3.C28H28ClN5O3.C28H29ClN4O4S.C27H26ClN5O4/c31-26-17-23(22-8-4-20(5-9-22)14-29(37)35-12-2-1-3-13-35)15-24-16-25(38-30(24)26)19-34-28(36)11-7-21-6-10-27(32)33-18-21;1-19(34-11-13-36-14-12-34)21-3-2-4-22(15-21)24-7-8-26(30)29-25(24)16-23(37-29)18-33-28(35)10-6-20-5-9-27(31)32-17-20;1-18(34-10-12-36-13-11-34)20-4-7-25(31-16-20)22-5-6-24(29)28-23(22)14-21(37-28)17-33-27(35)9-3-19-2-8-26(30)32-15-19;29-25-16-21(20-6-8-24(9-7-20)38(35,36)33-12-2-1-3-13-33)14-22-15-23(37-28(22)25)18-32-27(34)11-5-19-4-10-26(30)31-17-19;28-23-4-3-21(18-11-19(15-30-14-18)27(35)33-7-9-36-10-8-33)22-12-20(37-26(22)23)16-32-25(34)6-2-17-1-5-24(29)31-13-17/h4-11,15,17-18,25H,1-3,12-14,16,19H2,(H2,32,33)(H,34,36);2-10,15,17,23H,1,11-14,16,18H2,(H2,31,32)(H,33,35);2-9,15-16,21H,1,10-14,17H2,(H2,30,32)(H,33,35);4-11,14,16-17,23H,1-3,12-13,15,18H2,(H2,30,31)(H,32,34);1-6,11,13-15,20H,7-10,12,16H2,(H2,29,31)(H,32,34)/b11-7+;10-6+;9-3+;11-5+;6-2+
InChIKeyFTDSHTKSSSBVMI-GXWFVFJUSA-N
MW2639.17 g/mol
LogP20.18
Rot. Bonds34

About (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide

(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide (PubChem CID 158134279) has the molecular formula C142H143Cl5N22O17S and a molecular weight of 2639.17 g/mol. Its IUPAC name is (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
PubChem CID158134279
Molecular FormulaC142H143Cl5N22O17S
Molecular Weight2639.17 g/mol
Exact Mass2634.92
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
SMILESC=C(c1ccc(-c2ccc(Cl)c3c2CC(CNC(=O)/C=C/c2ccc(N)nc2)O3)nc1)N1CCOCC1.C=C(c1cccc(-c2ccc(Cl)c3c2CC(CNC(=O)/C=C/c2ccc(N)nc2)O3)c1)N1CCOCC1.Nc1ccc(/C=C/C(=O)NCC2Cc3c(-c4cncc(C(=O)N5CCOCC5)c4)ccc(Cl)c3O2)cn1.Nc1ccc(/C=C/C(=O)NCC2Cc3cc(-c4ccc(CC(=O)N5CCCCC5)cc4)cc(Cl)c3O2)cn1.Nc1ccc(/C=C/C(=O)NCC2Cc3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc(Cl)c3O2)cn1
InChIInChI=1S/C30H31ClN4O3.C29H29ClN4O3.C28H28ClN5O3.C28H29ClN4O4S.C27H26ClN5O4/c31-26-17-23(22-8-4-20(5-9-22)14-29(37)35-12-2-1-3-13-35)15-24-16-25(38-30(24)26)19-34-28(36)11-7-21-6-10-27(32)33-18-21;1-19(34-11-13-36-14-12-34)21-3-2-4-22(15-21)24-7-8-26(30)29-25(24)16-23(37-29)18-33-28(35)10-6-20-5-9-27(31)32-17-20;1-18(34-10-12-36-13-11-34)20-4-7-25(31-16-20)22-5-6-24(29)28-23(22)14-21(37-28)17-33-27(35)9-3-19-2-8-26(30)32-15-19;29-25-16-21(20-6-8-24(9-7-20)38(35,36)33-12-2-1-3-13-33)14-22-15-23(37-28(22)25)18-32-27(34)11-5-19-4-10-26(30)31-17-19;28-23-4-3-21(18-11-19(15-30-14-18)27(35)33-7-9-36-10-8-33)22-12-20(37-26(22)23)16-32-25(34)6-2-17-1-5-24(29)31-13-17/h4-11,15,17-18,25H,1-3,12-14,16,19H2,(H2,32,33)(H,34,36);2-10,15,17,23H,1,11-14,16,18H2,(H2,31,32)(H,33,35);2-9,15-16,21H,1,10-14,17H2,(H2,30,32)(H,33,35);4-11,14,16-17,23H,1-3,12-13,15,18H2,(H2,30,31)(H,32,34);1-6,11,13-15,20H,7-10,12,16H2,(H2,29,31)(H,32,34)/b11-7+;10-6+;9-3+;11-5+;6-2+
InChIKeyFTDSHTKSSSBVMI-GXWFVFJUSA-N
XLogP20.18
TPSA524.15 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002639.17
LogP ≤ 520.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide (CID 158134279) is (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide is C=C(c1ccc(-c2ccc(Cl)c3c2CC(CNC(=O)/C=C/c2ccc(N)nc2)O3)nc1)N1CCOCC1.C=C(c1cccc(-c2ccc(Cl)c3c2CC(CNC(=O)/C=C/c2ccc(N)nc2)O3)c1)N1CCOCC1.Nc1ccc(/C=C/C(=O)NCC2Cc3c(-c4cncc(C(=O)N5CCOCC5)c4)ccc(Cl)c3O2)cn1.Nc1ccc(/C=C/C(=O)NCC2Cc3cc(-c4ccc(CC(=O)N5CCCCC5)cc4)cc(Cl)c3O2)cn1.Nc1ccc(/C=C/C(=O)NCC2Cc3cc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc(Cl)c3O2)cn1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
The InChIKey is FTDSHTKSSSBVMI-GXWFVFJUSA-N. The full InChI is InChI=1S/C30H31ClN4O3.C29H29ClN4O3.C28H28ClN5O3.C28H29ClN4O4S.C27H26ClN5O4/c31-26-17-23(22-8-4-20(5-9-22)14-29(37)35-12-2-1-3-13-35)15-24-16-25(38-30(24)26)19-34-28(36)11-7-21-6-10-27(32)33-18-21;1-19(34-11-13-36-14-12-34)21-3-2-4-22(15-21)24-7-8-26(30)29-25(24)16-23(37-29)18-33-28(35)10-6-20-5-9-27(31)32-17-20;1-18(34-10-12-36-13-11-34)20-4-7-25(31-16-20)22-5-6-24(29)28-23(22)14-21(37-28)17-33-27(35)9-3-19-2-8-26(30)32-15-19;29-25-16-21(20-6-8-24(9-7-20)38(35,36)33-12-2-1-3-13-33)14-22-15-23(37-28(22)25)18-32-27(34)11-5-19-4-10-26(30)31-17-19;28-23-4-3-21(18-11-19(15-30-14-18)27(35)33-7-9-36-10-8-33)22-12-20(37-26(22)23)16-32-25(34)6-2-17-1-5-24(29)31-13-17/h4-11,15,17-18,25H,1-3,12-14,16,19H2,(H2,32,33)(H,34,36);2-10,15,17,23H,1,11-14,16,18H2,(H2,31,32)(H,33,35);2-9,15-16,21H,1,10-14,17H2,(H2,30,32)(H,33,35);4-11,14,16-17,23H,1-3,12-13,15,18H2,(H2,30,31)(H,32,34);1-6,11,13-15,20H,7-10,12,16H2,(H2,29,31)(H,32,34)/b11-7+;10-6+;9-3+;11-5+;6-2+.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide has a molecular weight of 2639.17 g/mol, XLogP of 20.18, 34 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[3-(1-morpholin-4-ylethenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-4-[5-(1-morpholin-4-ylethenyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 158134279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).