4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

C21H17N7O2 — CID 170152532

About 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 170152532) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
• PubChem CID: 170152532
• Molecular Formula: C21H17N7O2
• Molecular Weight: 399.41 g/mol
• Exact Mass: 399.14
• IUPAC Name: 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
• SMILES: CCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C=O)cn2)c2ncn(C)c2n1
• InChI: InChI=1S/C21H17N7O2/c1-3-14-6-15(8-22)23-10-17(14)30-19-7-16(20-21(27-19)28(2)12-25-20)26-18-5-4-13(11-29)9-24-18/h4-7,9-12H,3H2,1-2H3,(H,24,26,27)
• InChIKey: CAXSIEBSTRJRAD-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 118.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.41
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The IUPAC name of 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 170152532) is 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

What is the SMILES notation for 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The canonical SMILES for 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is CCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C=O)cn2)c2ncn(C)c2n1.

What is the InChIKey of 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The InChIKey is CAXSIEBSTRJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c1-3-14-6-15(8-22)23-10-17(14)30-19-7-16(20-21(27-19)28(2)12-25-20)26-18-5-4-13(11-29)9-24-18/h4-7,9-12H,3H2,1-2H3,(H,24,26,27).

What are the key properties of 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 399.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 170152532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).