N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H22FN5O2 — CID 139495259

About N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 139495259) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 139495259
• Molecular Formula: C27H22FN5O2
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.18
• IUPAC Name: N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(C(N)O)c4)n3c2)ccc1F
• InChI: InChI=1S/C27H22FN5O2/c1-16-12-17(7-9-22(16)28)25-21(6-3-11-30-25)19-8-10-24-31-14-23(33(24)15-19)27(35)32-20-5-2-4-18(13-20)26(29)34/h2-15,26,34H,29H2,1H3,(H,32,35)
• InChIKey: LBULYYXIQGKNLY-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 105.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 139495259) is N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(C(N)O)c4)n3c2)ccc1F.

What is the InChIKey of N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is LBULYYXIQGKNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2/c1-16-12-17(7-9-22(16)28)25-21(6-3-11-30-25)19-8-10-24-31-14-23(33(24)15-19)27(35)32-20-5-2-4-18(13-20)26(29)34/h2-15,26,34H,29H2,1H3,(H,32,35).

What are the key properties of N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[amino(hydroxy)methyl]phenyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 139495259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).