1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene

C30H40FN7O2 — CID 144738702

About 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene

1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene (PubChem CID 144738702) has the molecular formula C30H40FN7O2 and a molecular weight of 549.70 g/mol. Its IUPAC name is 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene.

Molecular Properties

• Compound Name: 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
• PubChem CID: 144738702
• Molecular Formula: C30H40FN7O2
• Molecular Weight: 549.70 g/mol
• Exact Mass: 549.32
• IUPAC Name: 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
• SMILES: CC.Cc1c(C(=O)N[C@H]2CCN(c3ccc4ncc(C)n4n3)C2)c(=O)n(C2CCCC2)n1C.Fc1ccccc1
• InChI: InChI=1S/C22H29N7O2.C6H5F.C2H6/c1-14-12-23-18-8-9-19(25-28(14)18)27-11-10-16(13-27)24-21(30)20-15(2)26(3)29(22(20)31)17-6-4-5-7-17;7-6-4-2-1-3-5-6;1-2/h8-9,12,16-17H,4-7,10-11,13H2,1-3H3,(H,24,30);1-5H;1-2H3/t16-;;/m0../s1
• InChIKey: BRGXQDVZFYDQMX-SQKCAUCHSA-N
• XLogP: 4.82
• TPSA: 89.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.70
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene?

The IUPAC name of 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene (CID 144738702) is 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene.

What is the SMILES notation for 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene?

The canonical SMILES for 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene is CC.Cc1c(C(=O)N[C@H]2CCN(c3ccc4ncc(C)n4n3)C2)c(=O)n(C2CCCC2)n1C.Fc1ccccc1.

What is the InChIKey of 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene?

The InChIKey is BRGXQDVZFYDQMX-SQKCAUCHSA-N. The full InChI is InChI=1S/C22H29N7O2.C6H5F.C2H6/c1-14-12-23-18-8-9-19(25-28(14)18)27-11-10-16(13-27)24-21(30)20-15(2)26(3)29(22(20)31)17-6-4-5-7-17;7-6-4-2-1-3-5-6;1-2/h8-9,12,16-17H,4-7,10-11,13H2,1-3H3,(H,24,30);1-5H;1-2H3/t16-;;/m0../s1.

What are the key properties of 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene?

1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene has a molecular weight of 549.70 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene is sourced from PubChem (CID 144738702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).