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

C34H30FN9O3 — CID 118334486

About 1-[2-[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-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]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334486) has the molecular formula C34H30FN9O3 and a molecular weight of 631.67 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]-2-oxoethyl]-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]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 118334486
• Molecular Formula: C34H30FN9O3
• Molecular Weight: 631.67 g/mol
• Exact Mass: 631.25
• IUPAC Name: 1-[2-[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)c2nc(-c3ccccc3)c(C)n2c1
• InChI: InChI=1S/C34H30FN9O3/c1-19-12-26(33-40-30(20(2)42(33)16-19)21-6-4-3-5-7-21)39-34(47)28-14-24(35)17-43(28)29(45)18-44-27-9-8-22(23-10-11-37-38-15-23)13-25(27)31(41-44)32(36)46/h3-13,15-16,24,28H,14,17-18H2,1-2H3,(H2,36,46)(H,39,47)
• InChIKey: GAZHROIOUFLNEZ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 153.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.67
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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]-2-oxoethyl]-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]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334486) is 1-[2-[2-[(3,6-dimethyl-2-phenylimidazo[1,2-a]pyridin-8-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-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]-2-oxoethyl]-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]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1cc(NC(=O)C2CC(F)CN2C(=O)Cn2nc(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]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is GAZHROIOUFLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN9O3/c1-19-12-26(33-40-30(20(2)42(33)16-19)21-6-4-3-5-7-21)39-34(47)28-14-24(35)17-43(28)29(45)18-44-27-9-8-22(23-10-11-37-38-15-23)13-25(27)31(41-44)32(36)46/h3-13,15-16,24,28H,14,17-18H2,1-2H3,(H2,36,46)(H,39,47).

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]-2-oxoethyl]-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]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 631.67 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).