1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C28H29FN8O4 — CID 118334434

About 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334434) has the molecular formula C28H29FN8O4 and a molecular weight of 560.59 g/mol. Its IUPAC name is 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 118334434
• Molecular Formula: C28H29FN8O4
• Molecular Weight: 560.59 g/mol
• Exact Mass: 560.23
• IUPAC Name: 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)NC2CN(C3CC3)C(=O)C23CC3)c2ccc(-c3ccnnc3)cc12
• InChI: InChI=1S/C28H29FN8O4/c29-17-10-21(26(40)33-22-13-35(18-2-3-18)27(41)28(22)6-7-28)36(12-17)23(38)14-37-20-4-1-15(16-5-8-31-32-11-16)9-19(20)24(34-37)25(30)39/h1,4-5,8-9,11,17-18,21-22H,2-3,6-7,10,12-14H2,(H2,30,39)(H,33,40)
• InChIKey: VAAGHIZMVIIDIA-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 156.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.59
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334434) is 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)NC2CN(C3CC3)C(=O)C23CC3)c2ccc(-c3ccnnc3)cc12.

What is the InChIKey of 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is VAAGHIZMVIIDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8O4/c29-17-10-21(26(40)33-22-13-35(18-2-3-18)27(41)28(22)6-7-28)36(12-17)23(38)14-37-20-4-1-15(16-5-8-31-32-11-16)9-19(20)24(34-37)25(30)39/h1,4-5,8-9,11,17-18,21-22H,2-3,6-7,10,12-14H2,(H2,30,39)(H,33,40).

What are the key properties of 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 560.59 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).