8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

C24H27N11O — CID 118253719

About 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 118253719) has the molecular formula C24H27N11O and a molecular weight of 485.56 g/mol. Its IUPAC name is 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
• PubChem CID: 118253719
• Molecular Formula: C24H27N11O
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.24
• IUPAC Name: 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
• SMILES: CC[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(CC)c3)nc12
• InChI: InChI=1S/C24H27N11O/c1-3-15-12-33(21-6-5-17(9-25)31-32-21)8-7-19(15)29-22-18(23(26)36)11-28-35-14-20(30-24(22)35)16-10-27-34(4-2)13-16/h5-6,10-11,13-15,19,29H,3-4,7-8,12H2,1-2H3,(H2,26,36)/t15-,19-/m1/s1
• InChIKey: FSGDGKSWPWYXJK-DNVCBOLYSA-N
• XLogP: 2.09
• TPSA: 155.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

The IUPAC name of 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide (CID 118253719) is 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

The canonical SMILES for 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is CC[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(CC)c3)nc12.

What is the InChIKey of 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

The InChIKey is FSGDGKSWPWYXJK-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H27N11O/c1-3-15-12-33(21-6-5-17(9-25)31-32-21)8-7-19(15)29-22-18(23(26)36)11-28-35-14-20(30-24(22)35)16-10-27-34(4-2)13-16/h5-6,10-11,13-15,19,29H,3-4,7-8,12H2,1-2H3,(H2,26,36)/t15-,19-/m1/s1.

What are the key properties of 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?

8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[(3R,4R)-1-(6-cyanopyridazin-3-yl)-3-ethylpiperidin-4-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 118253719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).