N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C₂₄H₁₈ClN₅O₂ — CID 2357347

About N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 2357347) has the molecular formula C₂₄H₁₈ClN₅O₂ and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 2357347
• Molecular Formula: C₂₄H₁₈ClN₅O₂
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.11
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2ccccn2c1C(=O)/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12
• InChI: InChI=1S/C24H18ClN5O2/c1-15-22(29-13-5-4-8-20(29)26-15)23(31)28-27-21-18-6-2-3-7-19(18)30(24(21)32)14-16-9-11-17(25)12-10-16/h2-13,32H,14H2,1H3/b28-27+
• InChIKey: FBQVIOXLHDMUAT-BYYHNAKLSA-N
• XLogP: 5.93
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 2357347) is N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12.

What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is FBQVIOXLHDMUAT-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-15-22(29-13-5-4-8-20(29)26-15)23(31)28-27-21-18-6-2-3-7-19(18)30(24(21)32)14-16-9-11-17(25)12-10-16/h2-13,32H,14H2,1H3/b28-27+.

What are the key properties of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 2357347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2357347 — identifiers, structure, computed properties (public domain)

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