8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

C23H25N11O — CID 118253708

About 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 118253708) has the molecular formula C23H25N11O and a molecular weight of 471.53 g/mol. Its IUPAC name is 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
• PubChem CID: 118253708
• Molecular Formula: C23H25N11O
• Molecular Weight: 471.53 g/mol
• Exact Mass: 471.22
• IUPAC Name: 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
• SMILES: CC(C)n1cc(-c2cn3ncc(C(N)=O)c(N[C@@H]4CN(c5ncc(C#N)cn5)C[C@H]4C)c3n2)cn1
• InChI: InChI=1S/C23H25N11O/c1-13(2)33-10-16(7-28-33)19-12-34-22(31-19)20(17(8-29-34)21(25)35)30-18-11-32(9-14(18)3)23-26-5-15(4-24)6-27-23/h5-8,10,12-14,18,30H,9,11H2,1-3H3,(H2,25,35)/t14-,18-/m1/s1
• InChIKey: SFWGILCUBINBQX-RDTXWAMCSA-N
• XLogP: 1.87
• TPSA: 155.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.53
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

The IUPAC name of 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide (CID 118253708) is 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

The canonical SMILES for 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is CC(C)n1cc(-c2cn3ncc(C(N)=O)c(N[C@@H]4CN(c5ncc(C#N)cn5)C[C@H]4C)c3n2)cn1.

What is the InChIKey of 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

The InChIKey is SFWGILCUBINBQX-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H25N11O/c1-13(2)33-10-16(7-28-33)19-12-34-22(31-19)20(17(8-29-34)21(25)35)30-18-11-32(9-14(18)3)23-26-5-15(4-24)6-27-23/h5-8,10,12-14,18,30H,9,11H2,1-3H3,(H2,25,35)/t14-,18-/m1/s1.

What are the key properties of 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 118253708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).