4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde

C126H173BBrN19O18 — CID 161441505

IUPAC4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde
SMILESC.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccnc(N)c2[N+](=O)[O-])CC1.CC(C)(C)OC(=O)N1CCC(c2ccnc(N)c2N)CC1.CC(C)(C)OC(=O)N1CCC(c2ccnc3nc(-c4ccc(OCc5ccccc5)cc4)[nH]c23)CC1.Nc1nccc(Br)c1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.c1ccc(COc2ccc(-c3nc4nccc(C5CCCCC5)c4[nH]3)cc2)cc1
InChIInChI=1S/C29H32N4O3.C25H25N3O.C16H28BNO4.C15H20N4O4.C15H24N4O2.C14H12O2.C5H4BrN3O2.7CH4/c1-29(2,3)36-28(34)33-17-14-21(15-18-33)24-13-16-30-27-25(24)31-26(32-27)22-9-11-23(12-10-22)35-19-20-7-5-4-6-8-20;1-3-7-18(8-4-1)17-29-21-13-11-20(12-14-21)24-27-23-22(15-16-26-25(23)28-24)19-9-5-2-6-10-19;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)23-14(20)18-8-5-10(6-9-18)11-4-7-17-13(16)12(11)19(21)22;1-15(2,3)21-14(20)19-8-5-10(6-9-19)11-4-7-18-13(17)12(11)16;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;6-3-1-2-8-5(7)4(3)9(10)11;;;;;;;/h4-13,16,21H,14-15,17-19H2,1-3H3,(H,30,31,32);1,3-4,7-8,11-16,19H,2,5-6,9-10,17H2,(H,26,27,28);8H,9-11H2,1-7H3;4-5,7H,6,8-9H2,1-3H3,(H2,16,17);4,7,10H,5-6,8-9,16H2,1-3H3,(H2,17,18);1-10H,11H2;1-2H,(H2,7,8);7*1H4
InChIKeyVZIGRASMTMOSQY-UHFFFAOYSA-N
MW2332.60 g/mol
LogP29.58
Rot. Bonds19

About 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde

4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde (PubChem CID 161441505) has the molecular formula C126H173BBrN19O18 and a molecular weight of 2332.60 g/mol. Its IUPAC name is 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde
PubChem CID161441505
Molecular FormulaC126H173BBrN19O18
Molecular Weight2332.60 g/mol
Exact Mass2330.25
IUPAC Name4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde
SMILESC.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccnc(N)c2[N+](=O)[O-])CC1.CC(C)(C)OC(=O)N1CCC(c2ccnc(N)c2N)CC1.CC(C)(C)OC(=O)N1CCC(c2ccnc3nc(-c4ccc(OCc5ccccc5)cc4)[nH]c23)CC1.Nc1nccc(Br)c1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.c1ccc(COc2ccc(-c3nc4nccc(C5CCCCC5)c4[nH]3)cc2)cc1
InChIInChI=1S/C29H32N4O3.C25H25N3O.C16H28BNO4.C15H20N4O4.C15H24N4O2.C14H12O2.C5H4BrN3O2.7CH4/c1-29(2,3)36-28(34)33-17-14-21(15-18-33)24-13-16-30-27-25(24)31-26(32-27)22-9-11-23(12-10-22)35-19-20-7-5-4-6-8-20;1-3-7-18(8-4-1)17-29-21-13-11-20(12-14-21)24-27-23-22(15-16-26-25(23)28-24)19-9-5-2-6-10-19;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)23-14(20)18-8-5-10(6-9-18)11-4-7-17-13(16)12(11)19(21)22;1-15(2,3)21-14(20)19-8-5-10(6-9-19)11-4-7-18-13(17)12(11)16;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;6-3-1-2-8-5(7)4(3)9(10)11;;;;;;;/h4-13,16,21H,14-15,17-19H2,1-3H3,(H,30,31,32);1,3-4,7-8,11-16,19H,2,5-6,9-10,17H2,(H,26,27,28);8H,9-11H2,1-7H3;4-5,7H,6,8-9H2,1-3H3,(H2,16,17);4,7,10H,5-6,8-9,16H2,1-3H3,(H2,17,18);1-10H,11H2;1-2H,(H2,7,8);7*1H4
InChIKeyVZIGRASMTMOSQY-UHFFFAOYSA-N
XLogP29.58
TPSA493.55 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.60
LogP ≤ 529.58
H-Bond Donors ≤ 56
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde 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 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde?
The IUPAC name of 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde (CID 161441505) is 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde?
The canonical SMILES for 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde is C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccnc(N)c2[N+](=O)[O-])CC1.CC(C)(C)OC(=O)N1CCC(c2ccnc(N)c2N)CC1.CC(C)(C)OC(=O)N1CCC(c2ccnc3nc(-c4ccc(OCc5ccccc5)cc4)[nH]c23)CC1.Nc1nccc(Br)c1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.c1ccc(COc2ccc(-c3nc4nccc(C5CCCCC5)c4[nH]3)cc2)cc1.
What is the InChIKey of 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde?
The InChIKey is VZIGRASMTMOSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3.C25H25N3O.C16H28BNO4.C15H20N4O4.C15H24N4O2.C14H12O2.C5H4BrN3O2.7CH4/c1-29(2,3)36-28(34)33-17-14-21(15-18-33)24-13-16-30-27-25(24)31-26(32-27)22-9-11-23(12-10-22)35-19-20-7-5-4-6-8-20;1-3-7-18(8-4-1)17-29-21-13-11-20(12-14-21)24-27-23-22(15-16-26-25(23)28-24)19-9-5-2-6-10-19;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)23-14(20)18-8-5-10(6-9-18)11-4-7-17-13(16)12(11)19(21)22;1-15(2,3)21-14(20)19-8-5-10(6-9-19)11-4-7-18-13(17)12(11)16;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;6-3-1-2-8-5(7)4(3)9(10)11;;;;;;;/h4-13,16,21H,14-15,17-19H2,1-3H3,(H,30,31,32);1,3-4,7-8,11-16,19H,2,5-6,9-10,17H2,(H,26,27,28);8H,9-11H2,1-7H3;4-5,7H,6,8-9H2,1-3H3,(H2,16,17);4,7,10H,5-6,8-9,16H2,1-3H3,(H2,17,18);1-10H,11H2;1-2H,(H2,7,8);7*1H4.
What are the key properties of 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde?
4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde has a molecular weight of 2332.60 g/mol, XLogP of 29.58, 19 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-nitropyridin-2-amine;tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;7-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 161441505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).