3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide

C28H28F2N6O2 — CID 123338933

About 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide

3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide (PubChem CID 123338933) has the molecular formula C28H28F2N6O2 and a molecular weight of 518.57 g/mol. Its IUPAC name is 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide
• PubChem CID: 123338933
• Molecular Formula: C28H28F2N6O2
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.22
• IUPAC Name: 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide
• SMILES: COc1cccc(F)c1CN1CCC(F)C(NC(=O)c2ccc3n[nH]c(C4C=Cc5nccn5C4)c3c2)C1
• InChI: InChI=1S/C28H28F2N6O2/c1-38-25-4-2-3-21(29)20(25)15-35-11-9-22(30)24(16-35)32-28(37)17-5-7-23-19(13-17)27(34-33-23)18-6-8-26-31-10-12-36(26)14-18/h2-8,10,12-13,18,22,24H,9,11,14-16H2,1H3,(H,32,37)(H,33,34)
• InChIKey: IQFFQQXUJLNHDK-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 88.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide?

The IUPAC name of 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide (CID 123338933) is 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide.

What is the SMILES notation for 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide?

The canonical SMILES for 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCC(F)C(NC(=O)c2ccc3n[nH]c(C4C=Cc5nccn5C4)c3c2)C1.

What is the InChIKey of 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide?

The InChIKey is IQFFQQXUJLNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O2/c1-38-25-4-2-3-21(29)20(25)15-35-11-9-22(30)24(16-35)32-28(37)17-5-7-23-19(13-17)27(34-33-23)18-6-8-26-31-10-12-36(26)14-18/h2-8,10,12-13,18,22,24H,9,11,14-16H2,1H3,(H,32,37)(H,33,34).

What are the key properties of 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide?

3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide has a molecular weight of 518.57 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 123338933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).