5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine

C103H150BrCl2N21O30 — CID 165065091

About 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine

5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine (PubChem CID 165065091) has the molecular formula C103H150BrCl2N21O30 and a molecular weight of 2313.26 g/mol. Its IUPAC name is 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine.

Molecular Properties

• Compound Name: 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine
• PubChem CID: 165065091
• Molecular Formula: C103H150BrCl2N21O30
• Molecular Weight: 2313.26 g/mol
• Exact Mass: 2309.94
• IUPAC Name: 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine
• SMILES: C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(COC[C@@H](C)CC(=O)OC(C)(C)C)cc1N.COc1ncc(C)cc1[N+](=O)[O-].COc1ncc(CBr)cc1[N+](=O)[O-].COc1ncc(COC[C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ncc(COC[C@@H](C)N)cc1N.COc1ncc(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.C[C@H](CO)CC(=O)OC(C)(C)C
• InChI: InChI=1S/C23H30ClN7O5.C17H27NO4.C16H24N2O6.C13H15ClN4O4.C10H17N3O2.C9H18O3.C7H7BrN2O3.C7H8N2O3.CH4/c1-13(11-35-12-14-7-16(25)21(34-6)26-9-14)28-20(32)15-10-27-31-18(8-17(24)29-19(15)31)30(5)22(33)36-23(2,3)4;1-12(8-16(19)22-17(2,3)4)10-21-11-13-6-7-15(20-5)14(18)9-13;1-11(6-14(19)24-16(2,3)4)9-23-10-12-7-13(18(20)21)15(22-5)17-8-12;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-7(11)5-15-6-8-3-9(12)10(14-2)13-4-8;1-7(6-10)5-8(11)12-9(2,3)4;1-13-7-6(10(11)12)2-5(3-8)4-9-7;1-5-3-6(9(10)11)7(12-2)8-4-5;/h7-10,13H,11-12,25H2,1-6H3,(H,28,32);6-7,9,12H,8,10-11,18H2,1-5H3;7-8,11H,6,9-10H2,1-5H3;5-6H,1-4H3,(H,19,20);3-4,7H,5-6,11-12H2,1-2H3;7,10H,5-6H2,1-4H3;2,4H,3H2,1H3;3-4H,1-2H3;1H4/t13-;12-;11-;;2*7-;;;/m100.10.../s1
• InChIKey: RVFFHQGUUGQFKI-RFYPPAKLSA-N
• XLogP: 17.29
• TPSA: 675.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 38
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2313.26
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine?

The IUPAC name of 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine (CID 165065091) is 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine.

What is the SMILES notation for 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine?

The canonical SMILES for 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine is C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(COC[C@@H](C)CC(=O)OC(C)(C)C)cc1N.COc1ncc(C)cc1[N+](=O)[O-].COc1ncc(CBr)cc1[N+](=O)[O-].COc1ncc(COC[C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ncc(COC[C@@H](C)N)cc1N.COc1ncc(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.C[C@H](CO)CC(=O)OC(C)(C)C.

What is the InChIKey of 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine?

The InChIKey is RVFFHQGUUGQFKI-RFYPPAKLSA-N. The full InChI is InChI=1S/C23H30ClN7O5.C17H27NO4.C16H24N2O6.C13H15ClN4O4.C10H17N3O2.C9H18O3.C7H7BrN2O3.C7H8N2O3.CH4/c1-13(11-35-12-14-7-16(25)21(34-6)26-9-14)28-20(32)15-10-27-31-18(8-17(24)29-19(15)31)30(5)22(33)36-23(2,3)4;1-12(8-16(19)22-17(2,3)4)10-21-11-13-6-7-15(20-5)14(18)9-13;1-11(6-14(19)24-16(2,3)4)9-23-10-12-7-13(18(20)21)15(22-5)17-8-12;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-7(11)5-15-6-8-3-9(12)10(14-2)13-4-8;1-7(6-10)5-8(11)12-9(2,3)4;1-13-7-6(10(11)12)2-5(3-8)4-9-7;1-5-3-6(9(10)11)7(12-2)8-4-5;/h7-10,13H,11-12,25H2,1-6H3,(H,28,32);6-7,9,12H,8,10-11,18H2,1-5H3;7-8,11H,6,9-10H2,1-5H3;5-6H,1-4H3,(H,19,20);3-4,7H,5-6,11-12H2,1-2H3;7,10H,5-6H2,1-4H3;2,4H,3H2,1H3;3-4H,1-2H3;1H4/t13-;12-;11-;;2*7-;;;/m100.10.../s1.

What are the key properties of 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine?

5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine has a molecular weight of 2313.26 g/mol, XLogP of 17.29, 38 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine is sourced from PubChem (CID 165065091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).