1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C24H22FN11O4 — CID 134222893

About 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 134222893) has the molecular formula C24H22FN11O4 and a molecular weight of 547.51 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 134222893
• Molecular Formula: C24H22FN11O4
• Molecular Weight: 547.51 g/mol
• Exact Mass: 547.18
• IUPAC Name: 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: Cc1noc(-c2nonc2NC(=O)C2CC(F)CN2CCn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1
• InChI: InChI=1S/C24H22FN11O4/c1-12-29-24(39-32-12)20-22(34-40-33-20)30-23(38)18-9-15(25)11-35(18)6-7-36-17-3-2-13(14-4-5-27-28-10-14)8-16(17)19(31-36)21(26)37/h2-5,8,10,15,18H,6-7,9,11H2,1H3,(H2,26,37)(H,30,34,38)
• InChIKey: MZQHHTHAICMNIL-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 196.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.51
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 134222893) is 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1noc(-c2nonc2NC(=O)C2CC(F)CN2CCn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1.

What is the InChIKey of 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is MZQHHTHAICMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN11O4/c1-12-29-24(39-32-12)20-22(34-40-33-20)30-23(38)18-9-15(25)11-35(18)6-7-36-17-3-2-13(14-4-5-27-28-10-14)8-16(17)19(31-36)21(26)37/h2-5,8,10,15,18H,6-7,9,11H2,1H3,(H2,26,37)(H,30,34,38).

What are the key properties of 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 547.51 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 134222893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).