N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide

C27H33N9O3 — CID 144737895

About N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide

N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 144737895) has the molecular formula C27H33N9O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 144737895
• Molecular Formula: C27H33N9O3
• Molecular Weight: 531.62 g/mol
• Exact Mass: 531.27
• IUPAC Name: N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide
• SMILES: CCNC(=O)Nc1cn2nc(N3CCC(NC(=O)c4c(C(C)C)n(C)n(-c5ccccc5)c4=O)C3)ccc2n1
• InChI: InChI=1S/C27H33N9O3/c1-5-28-27(39)31-20-16-35-21(30-20)11-12-22(32-35)34-14-13-18(15-34)29-25(37)23-24(17(2)3)33(4)36(26(23)38)19-9-7-6-8-10-19/h6-12,16-18H,5,13-15H2,1-4H3,(H,29,37)(H2,28,31,39)
• InChIKey: INEQGZYTARNLGZ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 130.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.62
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide (CID 144737895) is N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide is CCNC(=O)Nc1cn2nc(N3CCC(NC(=O)c4c(C(C)C)n(C)n(-c5ccccc5)c4=O)C3)ccc2n1.

What is the InChIKey of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is INEQGZYTARNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O3/c1-5-28-27(39)31-20-16-35-21(30-20)11-12-22(32-35)34-14-13-18(15-34)29-25(37)23-24(17(2)3)33(4)36(26(23)38)19-9-7-6-8-10-19/h6-12,16-18H,5,13-15H2,1-4H3,(H,29,37)(H2,28,31,39).

What are the key properties of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide?

N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 531.62 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 144737895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).