6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde

C56H62N14O9S2 — CID 167699492

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde

6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde (PubChem CID 167699492) has the molecular formula C56H62N14O9S2 and a molecular weight of 1139.33 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde
• PubChem CID: 167699492
• Molecular Formula: C56H62N14O9S2
• Molecular Weight: 1139.33 g/mol
• Exact Mass: 1138.43
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde
• SMILES: COc1ccc(C=O)cn1.COc1ccc(CN=S2(=O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cn1.[H]N=S1(=O)CCN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C28H31N7O4S.C21H24N6O3S.C7H7NO2/c1-28(2,36)19-39-23-12-24(27-22(13-29)17-32-35(27)18-23)21-5-6-25(30-16-21)34-8-10-40(37,11-9-34)33-15-20-4-7-26(38-3)31-14-20;1-21(2,28)14-30-17-9-18(20-16(10-22)12-25-27(20)13-17)15-3-4-19(24-11-15)26-5-7-31(23,29)8-6-26;1-10-7-3-2-6(5-9)4-8-7/h4-7,12,14,16-18,36H,8-11,15,19H2,1-3H3;3-4,9,11-13,23,28H,5-8,14H2,1-2H3;2-5H,1H3
• InChIKey: YDUGBCXLWHBQIA-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 305.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1139.33
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde (CID 167699492) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde is COc1ccc(C=O)cn1.COc1ccc(CN=S2(=O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cn1.[H]N=S1(=O)CCN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde?

The InChIKey is YDUGBCXLWHBQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O4S.C21H24N6O3S.C7H7NO2/c1-28(2,36)19-39-23-12-24(27-22(13-29)17-32-35(27)18-23)21-5-6-25(30-16-21)34-8-10-40(37,11-9-34)33-15-20-4-7-26(38-3)31-14-20;1-21(2,28)14-30-17-9-18(20-16(10-22)12-25-27(20)13-17)15-3-4-19(24-11-15)26-5-7-31(23,29)8-6-26;1-10-7-3-2-6(5-9)4-8-7/h4-7,12,14,16-18,36H,8-11,15,19H2,1-3H3;3-4,9,11-13,23,28H,5-8,14H2,1-2H3;2-5H,1H3.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde?

6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde has a molecular weight of 1139.33 g/mol, XLogP of 6.50, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-(1-imino-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(6-methoxy-3-pyridinyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 167699492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).