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

C30H33FN6O2 — CID 123588439

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

N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide (PubChem CID 123588439) has the molecular formula C30H33FN6O2 and a molecular weight of 528.63 g/mol. Its IUPAC name is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide
• PubChem CID: 123588439
• Molecular Formula: C30H33FN6O2
• Molecular Weight: 528.63 g/mol
• Exact Mass: 528.26
• IUPAC Name: N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide
• SMILES: COc1cccc(F)c1CN1CC(C)CC(NC(=O)c2ccc3n[nH]c(C4(C)C=Cc5nccn5C4)c3c2)C1
• InChI: InChI=1S/C30H33FN6O2/c1-19-13-21(16-36(15-19)17-23-24(31)5-4-6-26(23)39-3)33-29(38)20-7-8-25-22(14-20)28(35-34-25)30(2)10-9-27-32-11-12-37(27)18-30/h4-12,14,19,21H,13,15-18H2,1-3H3,(H,33,38)(H,34,35)
• InChIKey: ARSNFHJKJMKZPJ-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 88.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	4.53
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 N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide?

The IUPAC name of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide (CID 123588439) is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide.

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

The canonical SMILES for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide is COc1cccc(F)c1CN1CC(C)CC(NC(=O)c2ccc3n[nH]c(C4(C)C=Cc5nccn5C4)c3c2)C1.

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

The InChIKey is ARSNFHJKJMKZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2/c1-19-13-21(16-36(15-19)17-23-24(31)5-4-6-26(23)39-3)33-29(38)20-7-8-25-22(14-20)28(35-34-25)30(2)10-9-27-32-11-12-37(27)18-30/h4-12,14,19,21H,13,15-18H2,1-3H3,(H,33,38)(H,34,35).

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

N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide has a molecular weight of 528.63 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 123588439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).