1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C35H34FN9O3 — CID 123463078

About 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 123463078) has the molecular formula C35H34FN9O3 and a molecular weight of 647.72 g/mol. Its IUPAC name is 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 123463078
• Molecular Formula: C35H34FN9O3
• Molecular Weight: 647.72 g/mol
• Exact Mass: 647.28
• IUPAC Name: 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CC(F)CN2COCCn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2nc(-c3ccccc3)c(C)n2c1
• InChI: InChI=1S/C35H34FN9O3/c1-21-14-28(34-41-31(22(2)44(34)18-21)23-6-4-3-5-7-23)40-35(47)30-16-26(36)19-43(30)20-48-13-12-45-29-9-8-24(25-10-11-38-39-17-25)15-27(29)32(42-45)33(37)46/h3-11,14-15,17-18,26,30H,12-13,16,19-20H2,1-2H3,(H2,37,46)(H,40,47)
• InChIKey: MYEPRTKKHGEGOC-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 145.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.72
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 123463078) is 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1cc(NC(=O)C2CC(F)CN2COCCn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2nc(-c3ccccc3)c(C)n2c1.

What is the InChIKey of 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is MYEPRTKKHGEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN9O3/c1-21-14-28(34-41-31(22(2)44(34)18-21)23-6-4-3-5-7-23)40-35(47)30-16-26(36)19-43(30)20-48-13-12-45-29-9-8-24(25-10-11-38-39-17-25)15-27(29)32(42-45)33(37)46/h3-11,14-15,17-18,26,30H,12-13,16,19-20H2,1-2H3,(H2,37,46)(H,40,47).

What are the key properties of 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 647.72 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]methoxy]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 123463078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).