4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C25H32N6O3 — CID 91937365

About 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937365) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 91937365
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC[C@@H]1CN(C(=O)C(C)(C)O)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccnc(C)c3)cc12
• InChI: InChI=1S/C25H32N6O3/c1-5-16-13-30(24(33)25(3,4)34)9-7-20(16)29-22-19(23(26)32)12-28-31-14-18(11-21(22)31)17-6-8-27-15(2)10-17/h6,8,10-12,14,16,20,29,34H,5,7,9,13H2,1-4H3,(H2,26,32)/t16-,20-/m1/s1
• InChIKey: IADNRIHGYPSXNX-OXQOHEQNSA-N
• XLogP: 2.61
• TPSA: 125.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937365) is 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC[C@@H]1CN(C(=O)C(C)(C)O)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccnc(C)c3)cc12.

What is the InChIKey of 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is IADNRIHGYPSXNX-OXQOHEQNSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-5-16-13-30(24(33)25(3,4)34)9-7-20(16)29-22-19(23(26)32)12-28-31-14-18(11-21(22)31)17-6-8-27-15(2)10-17/h6,8,10-12,14,16,20,29,34H,5,7,9,13H2,1-4H3,(H2,26,32)/t16-,20-/m1/s1.

What are the key properties of 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?

4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3R,4R)-3-ethyl-1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]amino]-6-(2-methyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).