3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C₄₂H₄₄Cl₂N₁₂O₄ — CID 159326724

About 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 159326724) has the molecular formula C₄₂H₄₄Cl₂N₁₂O₄ and a molecular weight of 851.80 g/mol. Its IUPAC name is 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
• PubChem CID: 159326724
• Molecular Formula: C₄₂H₄₄Cl₂N₁₂O₄
• Molecular Weight: 851.80 g/mol
• Exact Mass: 850.30
• IUPAC Name: 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
• SMILES: CC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.CC(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21
• InChI: InChI=1S/C21H23ClN6O2.C21H21ClN6O2/c2*1-13(29)3-2-10-26-16-6-7-18(22)24-20(16)25-19(26)12-27-17-11-23-9-8-15(17)28(21(27)30)14-4-5-14/h6-9,11,13-14,29H,2-5,10,12H2,1H3;6-9,11,14H,2-5,10,12H2,1H3
• InChIKey: LELMTEUMNYHHMZ-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 178.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.80
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

The IUPAC name of 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 159326724) is 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.CC(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.

What is the InChIKey of 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

The InChIKey is LELMTEUMNYHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2.C21H21ClN6O2/c2*1-13(29)3-2-10-26-16-6-7-18(22)24-20(16)25-19(26)12-27-17-11-23-9-8-15(17)28(21(27)30)14-4-5-14/h6-9,11,13-14,29H,2-5,10,12H2,1H3;6-9,11,14H,2-5,10,12H2,1H3.

What are the key properties of 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 851.80 g/mol, XLogP of 6.49, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-oxopentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 159326724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159326724 — identifiers, structure, computed properties (public domain)

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