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

C30H25FN10O4 — CID 138525576

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

1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 138525576) has the molecular formula C30H25FN10O4 and a molecular weight of 608.59 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 138525576
• Molecular Formula: C30H25FN10O4
• Molecular Weight: 608.59 g/mol
• Exact Mass: 608.20
• IUPAC Name: 1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: CC1C(c2nonc2NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)=Nc2ccccc21
• InChI: InChI=1S/C30H25FN10O4/c1-15-19-4-2-3-5-21(19)35-25(15)27-29(39-45-38-27)36-30(44)23-11-18(31)13-40(23)24(42)14-41-22-7-6-16(17-8-9-33-34-12-17)10-20(22)26(37-41)28(32)43/h2-10,12,15,18,23H,11,13-14H2,1H3,(H2,32,43)(H,36,39,44)
• InChIKey: USASDAHVBWWAAB-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 187.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.59
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 138525576) is 1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

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

The canonical SMILES for 1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is CC1C(c2nonc2NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)=Nc2ccccc21.

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

The InChIKey is USASDAHVBWWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN10O4/c1-15-19-4-2-3-5-21(19)35-25(15)27-29(39-45-38-27)36-30(44)23-11-18(31)13-40(23)24(42)14-41-22-7-6-16(17-8-9-33-34-12-17)10-20(22)26(37-41)28(32)43/h2-10,12,15,18,23H,11,13-14H2,1H3,(H2,32,43)(H,36,39,44).

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

1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 608.59 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-fluoro-2-[[4-(3-methyl-3H-indol-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 138525576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).