3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine

C32H41N7O3S — CID 143716987

About 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine

3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine (PubChem CID 143716987) has the molecular formula C32H41N7O3S and a molecular weight of 603.79 g/mol. Its IUPAC name is 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine.

Molecular Properties

• Compound Name: 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine
• PubChem CID: 143716987
• Molecular Formula: C32H41N7O3S
• Molecular Weight: 603.79 g/mol
• Exact Mass: 603.30
• IUPAC Name: 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine
• SMILES: CC(C)CCCCO.CNC.CNc1nc2ccc(CNC(=O)c3cccn4c(C=O)c(-c5ccccn5)nc34)cc2s1
• InChI: InChI=1S/C23H18N6O2S.C7H16O.C2H7N/c1-24-23-27-16-8-7-14(11-19(16)32-23)12-26-22(31)15-5-4-10-29-18(13-30)20(28-21(15)29)17-6-2-3-9-25-17;1-7(2)5-3-4-6-8;1-3-2/h2-11,13H,12H2,1H3,(H,24,27)(H,26,31);7-8H,3-6H2,1-2H3;3H,1-2H3
• InChIKey: PQHCKSDURMNACS-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 133.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.79
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine?

The IUPAC name of 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine (CID 143716987) is 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine.

What is the SMILES notation for 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine?

The canonical SMILES for 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine is CC(C)CCCCO.CNC.CNc1nc2ccc(CNC(=O)c3cccn4c(C=O)c(-c5ccccn5)nc34)cc2s1.

What is the InChIKey of 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine?

The InChIKey is PQHCKSDURMNACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S.C7H16O.C2H7N/c1-24-23-27-16-8-7-14(11-19(16)32-23)12-26-22(31)15-5-4-10-29-18(13-30)20(28-21(15)29)17-6-2-3-9-25-17;1-7(2)5-3-4-6-8;1-3-2/h2-11,13H,12H2,1H3,(H,24,27)(H,26,31);7-8H,3-6H2,1-2H3;3H,1-2H3.

What are the key properties of 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine?

3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine has a molecular weight of 603.79 g/mol, XLogP of 5.43, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine is sourced from PubChem (CID 143716987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).