6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

C47H68ClN15O5 — CID 158443089

About 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 158443089) has the molecular formula C47H68ClN15O5 and a molecular weight of 958.61 g/mol. Its IUPAC name is 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 158443089
• Molecular Formula: C47H68ClN15O5
• Molecular Weight: 958.61 g/mol
• Exact Mass: 957.52
• IUPAC Name: 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
• SMILES: C.C.C.CN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.CN1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.CN1CCNCC1.Nc1nc(Cl)ccc1[N+](=O)[O-]
• InChI: InChI=1S/C24H25N5O.C10H15N5O2.C5H4ClN3O2.C5H12N2.3CH4/c1-28-13-15-29(16-14-28)22-12-11-21-24(26-22)27-23(25-21)19-7-9-20(10-8-19)30-17-18-5-3-2-4-6-18;1-13-4-6-14(7-5-13)9-3-2-8(15(16)17)10(11)12-9;6-4-2-1-3(9(10)11)5(7)8-4;1-7-4-2-6-3-5-7;;;/h2-12H,13-17H2,1H3,(H,25,26,27);2-3H,4-7H2,1H3,(H2,11,12);1-2H,(H2,7,8);6H,2-5H2,1H3;3*1H4
• InChIKey: HDBCKSBAIWGGSO-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 243.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	958.61
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 158443089) is 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is C.C.C.CN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.CN1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.CN1CCNCC1.Nc1nc(Cl)ccc1[N+](=O)[O-].

What is the InChIKey of 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?

The InChIKey is HDBCKSBAIWGGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.C10H15N5O2.C5H4ClN3O2.C5H12N2.3CH4/c1-28-13-15-29(16-14-28)22-12-11-21-24(26-22)27-23(25-21)19-7-9-20(10-8-19)30-17-18-5-3-2-4-6-18;1-13-4-6-14(7-5-13)9-3-2-8(15(16)17)10(11)12-9;6-4-2-1-3(9(10)11)5(7)8-4;1-7-4-2-6-3-5-7;;;/h2-12H,13-17H2,1H3,(H,25,26,27);2-3H,4-7H2,1H3,(H2,11,12);1-2H,(H2,7,8);6H,2-5H2,1H3;3*1H4.

What are the key properties of 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?

6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 958.61 g/mol, XLogP of 6.93, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-nitropyridin-2-amine;methane;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine;5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 158443089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).