2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine

C23H26N8O2 — CID 135819971

IUPAC2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3nc4nc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c2c1
InChIInChI=1S/C23H26N8O2/c32-31(33)16-4-5-18-17(14-16)21(28-27-18)23-24-19-6-7-20(25-22(19)26-23)30-12-8-15(9-13-30)29-10-2-1-3-11-29/h4-7,14-15H,1-3,8-13H2,(H,27,28)(H,24,25,26)
InChIKeyHQNJEANOZGHYKQ-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.86
Rot. Bonds4

About 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine

2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 135819971) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID135819971
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3nc4nc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c2c1
InChIInChI=1S/C23H26N8O2/c32-31(33)16-4-5-18-17(14-16)21(28-27-18)23-24-19-6-7-20(25-22(19)26-23)30-12-8-15(9-13-30)29-10-2-1-3-11-29/h4-7,14-15H,1-3,8-13H2,(H,27,28)(H,24,25,26)
InChIKeyHQNJEANOZGHYKQ-UHFFFAOYSA-N
XLogP3.86
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(5-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 135820273
1-[2-(6-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperidin-3-ol
CID 135820374
N-methyl-N-(1-methylpiperidin-4-yl)-2-(6-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820408
2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
CID 135820166
3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
1-(2,4-dimethoxyphenyl)-3-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]urea
CID 135820095
5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
CID 10244398
2-[3-(azepan-1-yl)piperidin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133454385
3-(furan-2-yl)-5-nitro-1H-indazole
CID 76847948
3-(3-methylphenyl)-5-nitro-1H-indazole
CID 71303796
2-cyclopentyl-8-nitro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59316072

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine (CID 135819971) is 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine is O=[N+]([O-])c1ccc2[nH]nc(-c3nc4nc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c2c1.
What is the InChIKey of 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is HQNJEANOZGHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c32-31(33)16-4-5-18-17(14-16)21(28-27-18)23-24-19-6-7-20(25-22(19)26-23)30-12-8-15(9-13-30)29-10-2-1-3-11-29/h4-7,14-15H,1-3,8-13H2,(H,27,28)(H,24,25,26).
What are the key properties of 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine?
2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 446.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-1H-indazol-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 135819971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).