1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide

C25H35N9O3 — CID 144738371

About 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide

1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide (PubChem CID 144738371) has the molecular formula C25H35N9O3 and a molecular weight of 509.62 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
• PubChem CID: 144738371
• Molecular Formula: C25H35N9O3
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.29
• IUPAC Name: 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
• SMILES: CCNC(=O)Nc1cn2nc(N3CCC(NC(=O)c4c(C)n(C)n(C5CCCCC5)c4=O)C3)ccc2n1
• InChI: InChI=1S/C25H35N9O3/c1-4-26-25(37)29-19-15-33-20(28-19)10-11-21(30-33)32-13-12-17(14-32)27-23(35)22-16(2)31(3)34(24(22)36)18-8-6-5-7-9-18/h10-11,15,17-18H,4-9,12-14H2,1-3H3,(H,27,35)(H2,26,29,37)
• InChIKey: QSTOSMVLILPOMM-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 130.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.62
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?

The IUPAC name of 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide (CID 144738371) is 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide.

What is the SMILES notation for 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?

The canonical SMILES for 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide is CCNC(=O)Nc1cn2nc(N3CCC(NC(=O)c4c(C)n(C)n(C5CCCCC5)c4=O)C3)ccc2n1.

What is the InChIKey of 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?

The InChIKey is QSTOSMVLILPOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O3/c1-4-26-25(37)29-19-15-33-20(28-19)10-11-21(30-33)32-13-12-17(14-32)27-23(35)22-16(2)31(3)34(24(22)36)18-8-6-5-7-9-18/h10-11,15,17-18H,4-9,12-14H2,1-3H3,(H,27,35)(H2,26,29,37).

What are the key properties of 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?

1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide has a molecular weight of 509.62 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide is sourced from PubChem (CID 144738371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).