5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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

C53H73Br5N12O5 — CID 157138998

IUPAC5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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.CCOC(=O)CN(C)Cc1cc(Br)cnc1N.CN1CC(=O)Nc2ncc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cc2C1.CN1CC(=O)Nc2ncc(Br)cc2C1.Nc1ncc(Br)cc1CBr
InChIInChI=1S/C23H24N4O2.C11H16BrN3O2.C9H10BrN3O.C6H6Br2N2.4CH4.BrH/c1-26-15-20-13-17(14-24-23(20)25-21(28)16-26)7-8-22(29)27-11-9-19(10-12-27)18-5-3-2-4-6-18;1-3-17-10(16)7-15(2)6-8-4-9(12)5-14-11(8)13;1-13-4-6-2-7(10)3-11-9(6)12-8(14)5-13;7-2-4-1-5(8)3-10-6(4)9;;;;;/h2-9,13-14H,10-12,15-16H2,1H3,(H,24,25,28);4-5H,3,6-7H2,1-2H3,(H2,13,14);2-3H,4-5H2,1H3,(H,11,12,14);1,3H,2H2,(H2,9,10);4*1H4;1H/b8-7+;;;;;;;;
InChIKeyNSJQQIXQYRXTGG-HORRFMSOSA-N
MW1357.77 g/mol
LogP10.89
Rot. Bonds9

About 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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 157138998) has the molecular formula C53H73Br5N12O5 and a molecular weight of 1357.77 g/mol. Its IUPAC name is 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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 CID157138998
Molecular FormulaC53H73Br5N12O5
Molecular Weight1357.77 g/mol
Exact Mass1352.17
IUPAC Name5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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.CCOC(=O)CN(C)Cc1cc(Br)cnc1N.CN1CC(=O)Nc2ncc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cc2C1.CN1CC(=O)Nc2ncc(Br)cc2C1.Nc1ncc(Br)cc1CBr
InChIInChI=1S/C23H24N4O2.C11H16BrN3O2.C9H10BrN3O.C6H6Br2N2.4CH4.BrH/c1-26-15-20-13-17(14-24-23(20)25-21(28)16-26)7-8-22(29)27-11-9-19(10-12-27)18-5-3-2-4-6-18;1-3-17-10(16)7-15(2)6-8-4-9(12)5-14-11(8)13;1-13-4-6-2-7(10)3-11-9(6)12-8(14)5-13;7-2-4-1-5(8)3-10-6(4)9;;;;;/h2-9,13-14H,10-12,15-16H2,1H3,(H,24,25,28);4-5H,3,6-7H2,1-2H3,(H2,13,14);2-3H,4-5H2,1H3,(H,11,12,14);1,3H,2H2,(H2,9,10);4*1H4;1H/b8-7+;;;;;;;;
InChIKeyNSJQQIXQYRXTGG-HORRFMSOSA-N
XLogP10.89
TPSA218.13 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001357.77
LogP ≤ 510.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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 157138998) is 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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.CCOC(=O)CN(C)Cc1cc(Br)cnc1N.CN1CC(=O)Nc2ncc(/C=C/C(=O)N3CC=C(c4ccccc4)CC3)cc2C1.CN1CC(=O)Nc2ncc(Br)cc2C1.Nc1ncc(Br)cc1CBr.
What is the InChIKey of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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 NSJQQIXQYRXTGG-HORRFMSOSA-N. The full InChI is InChI=1S/C23H24N4O2.C11H16BrN3O2.C9H10BrN3O.C6H6Br2N2.4CH4.BrH/c1-26-15-20-13-17(14-24-23(20)25-21(28)16-26)7-8-22(29)27-11-9-19(10-12-27)18-5-3-2-4-6-18;1-3-17-10(16)7-15(2)6-8-4-9(12)5-14-11(8)13;1-13-4-6-2-7(10)3-11-9(6)12-8(14)5-13;7-2-4-1-5(8)3-10-6(4)9;;;;;/h2-9,13-14H,10-12,15-16H2,1H3,(H,24,25,28);4-5H,3,6-7H2,1-2H3,(H2,13,14);2-3H,4-5H2,1H3,(H,11,12,14);1,3H,2H2,(H2,9,10);4*1H4;1H/b8-7+;;;;;;;;.
What are the key properties of 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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 1357.77 g/mol, XLogP of 10.89, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-4-methyl-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methyl-methylamino]acetate;methane;4-methyl-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 157138998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).