sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine

C19H21N4NaO3S — CID 173085268

About sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine

sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 173085268) has the molecular formula C19H21N4NaO3S and a molecular weight of 408.46 g/mol. Its IUPAC name is sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine
• PubChem CID: 173085268
• Molecular Formula: C19H21N4NaO3S
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.12
• IUPAC Name: sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine
• SMILES: CC#CCCOc1ccc2[nH]c(S(=O)Cc3nccc(OC)c3C)nc2n1.[H-].[Na+]
• InChI: InChI=1S/C19H20N4O3S.Na.H/c1-4-5-6-11-26-17-8-7-14-18(22-17)23-19(21-14)27(24)12-15-13(2)16(25-3)9-10-20-15;;/h7-10H,6,11-12H2,1-3H3,(H,21,22,23);;/q;+1;-1
• InChIKey: DPWCNSGOIVUWTA-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine?

The IUPAC name of sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine (CID 173085268) is sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine is CC#CCCOc1ccc2[nH]c(S(=O)Cc3nccc(OC)c3C)nc2n1.[H-].[Na+].

What is the InChIKey of sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine?

The InChIKey is DPWCNSGOIVUWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S.Na.H/c1-4-5-6-11-26-17-8-7-14-18(22-17)23-19(21-14)27(24)12-15-13(2)16(25-3)9-10-20-15;;/h7-10H,6,11-12H2,1-3H3,(H,21,22,23);;/q;+1;-1.

What are the key properties of sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine?

sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 408.46 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 173085268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).