5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide

C89H145Br5N18O14 — CID 158086364

IUPAC5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide
SMILESBr.C.C.C.C.C.CCOC(=O)CCCCN1CCOCC1.CCOC(=O)CN(CCN1CCOCC1)Cc1cc(Br)cnc1N.CCOC=O.NCCN1CCOCC1.Nc1ncc(Br)cc1CBr.O=C1CN(CCN2CCOCC2)Cc2cc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cnc2N1.O=C1CN(CCN2CCOCC2)Cc2cc(Br)cnc2N1
InChIInChI=1S/C28H33N5O3.C16H25BrN4O3.C14H19BrN4O2.C11H21NO3.C6H6Br2N2.C6H14N2O.C3H6O2.5CH4.BrH/c34-26-21-32(13-12-31-14-16-36-17-15-31)20-25-18-22(19-29-28(25)30-26)6-7-27(35)33-10-8-24(9-11-33)23-4-2-1-3-5-23;1-2-24-15(22)12-21(4-3-20-5-7-23-8-6-20)11-13-9-14(17)10-19-16(13)18;15-12-7-11-9-19(2-1-18-3-5-21-6-4-18)10-13(20)17-14(11)16-8-12;1-2-15-11(13)5-3-4-6-12-7-9-14-10-8-12;7-2-4-1-5(8)3-10-6(4)9;7-1-2-8-3-5-9-6-4-8;1-2-5-3-4;;;;;;/h1-8,18-19H,9-17,20-21H2,(H,29,30,34);9-10H,2-8,11-12H2,1H3,(H2,18,19);7-8H,1-6,9-10H2,(H,16,17,20);2-10H2,1H3;1,3H,2H2,(H2,9,10);1-7H2;3H,2H2,1H3;5*1H4;1H/b7-6+;;;;;;;;;;;;
InChIKeyZYCFKCVPTZHSDO-CEYMHBCXSA-N
MW2090.77 g/mol
LogP11.14
Rot. Bonds28

About 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide

5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide (PubChem CID 158086364) has the molecular formula C89H145Br5N18O14 and a molecular weight of 2090.77 g/mol. Its IUPAC name is 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide.

Molecular Properties

Compound Name5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide
PubChem CID158086364
Molecular FormulaC89H145Br5N18O14
Molecular Weight2090.77 g/mol
Exact Mass2084.71
IUPAC Name5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide
SMILESBr.C.C.C.C.C.CCOC(=O)CCCCN1CCOCC1.CCOC(=O)CN(CCN1CCOCC1)Cc1cc(Br)cnc1N.CCOC=O.NCCN1CCOCC1.Nc1ncc(Br)cc1CBr.O=C1CN(CCN2CCOCC2)Cc2cc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cnc2N1.O=C1CN(CCN2CCOCC2)Cc2cc(Br)cnc2N1
InChIInChI=1S/C28H33N5O3.C16H25BrN4O3.C14H19BrN4O2.C11H21NO3.C6H6Br2N2.C6H14N2O.C3H6O2.5CH4.BrH/c34-26-21-32(13-12-31-14-16-36-17-15-31)20-25-18-22(19-29-28(25)30-26)6-7-27(35)33-10-8-24(9-11-33)23-4-2-1-3-5-23;1-2-24-15(22)12-21(4-3-20-5-7-23-8-6-20)11-13-9-14(17)10-19-16(13)18;15-12-7-11-9-19(2-1-18-3-5-21-6-4-18)10-13(20)17-14(11)16-8-12;1-2-15-11(13)5-3-4-6-12-7-9-14-10-8-12;7-2-4-1-5(8)3-10-6(4)9;7-1-2-8-3-5-9-6-4-8;1-2-5-3-4;;;;;;/h1-8,18-19H,9-17,20-21H2,(H,29,30,34);9-10H,2-8,11-12H2,1H3,(H2,18,19);7-8H,1-6,9-10H2,(H,16,17,20);2-10H2,1H3;1,3H,2H2,(H2,9,10);1-7H2;3H,2H2,1H3;5*1H4;1H/b7-6+;;;;;;;;;;;;
InChIKeyZYCFKCVPTZHSDO-CEYMHBCXSA-N
XLogP11.14
TPSA359.10 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002090.77
LogP ≤ 511.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?
The IUPAC name of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide (CID 158086364) is 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide.
What is the SMILES notation for 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?
The canonical SMILES for 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide is Br.C.C.C.C.C.CCOC(=O)CCCCN1CCOCC1.CCOC(=O)CN(CCN1CCOCC1)Cc1cc(Br)cnc1N.CCOC=O.NCCN1CCOCC1.Nc1ncc(Br)cc1CBr.O=C1CN(CCN2CCOCC2)Cc2cc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cnc2N1.O=C1CN(CCN2CCOCC2)Cc2cc(Br)cnc2N1.
What is the InChIKey of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?
The InChIKey is ZYCFKCVPTZHSDO-CEYMHBCXSA-N. The full InChI is InChI=1S/C28H33N5O3.C16H25BrN4O3.C14H19BrN4O2.C11H21NO3.C6H6Br2N2.C6H14N2O.C3H6O2.5CH4.BrH/c34-26-21-32(13-12-31-14-16-36-17-15-31)20-25-18-22(19-29-28(25)30-26)6-7-27(35)33-10-8-24(9-11-33)23-4-2-1-3-5-23;1-2-24-15(22)12-21(4-3-20-5-7-23-8-6-20)11-13-9-14(17)10-19-16(13)18;15-12-7-11-9-19(2-1-18-3-5-21-6-4-18)10-13(20)17-14(11)16-8-12;1-2-15-11(13)5-3-4-6-12-7-9-14-10-8-12;7-2-4-1-5(8)3-10-6(4)9;7-1-2-8-3-5-9-6-4-8;1-2-5-3-4;;;;;;/h1-8,18-19H,9-17,20-21H2,(H,29,30,34);9-10H,2-8,11-12H2,1H3,(H2,18,19);7-8H,1-6,9-10H2,(H,16,17,20);2-10H2,1H3;1,3H,2H2,(H2,9,10);1-7H2;3H,2H2,1H3;5*1H4;1H/b7-6+;;;;;;;;;;;;.
What are the key properties of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide?
5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide has a molecular weight of 2090.77 g/mol, XLogP of 11.14, 28 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-(2-morpholin-4-ylethyl)-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]acetate;ethyl formate;ethyl 5-morpholin-4-ylpentanoate;methane;2-morpholin-4-ylethanamine;4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;hydrobromide is sourced from PubChem (CID 158086364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).