2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine

C16H19N7O2 — CID 69440477

IUPAC2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(c2ccc3[nH]c(-c4cc([N+](=O)[O-])cn4C)nc3n2)CC1
InChIInChI=1S/C16H19N7O2/c1-20-5-7-22(8-6-20)14-4-3-12-15(18-14)19-16(17-12)13-9-11(23(24)25)10-21(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyIHVIEVXWZGLFTN-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.62
Rot. Bonds3

About 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine

2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 69440477) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID69440477
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(c2ccc3[nH]c(-c4cc([N+](=O)[O-])cn4C)nc3n2)CC1
InChIInChI=1S/C16H19N7O2/c1-20-5-7-22(8-6-20)14-4-3-12-15(18-14)19-16(17-12)13-9-11(23(24)25)10-21(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyIHVIEVXWZGLFTN-UHFFFAOYSA-N
XLogP1.62
TPSA96.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine (CID 69440477) is 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine is CN1CCN(c2ccc3[nH]c(-c4cc([N+](=O)[O-])cn4C)nc3n2)CC1.
What is the InChIKey of 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is IHVIEVXWZGLFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-20-5-7-22(8-6-20)14-4-3-12-15(18-14)19-16(17-12)13-9-11(23(24)25)10-21(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine?
2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 341.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-nitropyrrol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 69440477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).