4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C22H26F3N7O2 — CID 91937368

About 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937368) has the molecular formula C22H26F3N7O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 91937368
• Molecular Formula: C22H26F3N7O2
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.21
• IUPAC Name: 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)cc12
• InChI: InChI=1S/C22H26F3N7O2/c1-3-13-11-31(19(33)7-22(23,24)25)5-4-17(13)29-20-16(21(26)34)9-28-32-12-14(6-18(20)32)15-8-27-30(2)10-15/h6,8-10,12-13,17,29H,3-5,7,11H2,1-2H3,(H2,26,34)/t13-,17-/m1/s1
• InChIKey: CSWQAXHAVSQGGL-CXAGYDPISA-N
• XLogP: 2.83
• TPSA: 110.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937368) is 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)cc12.

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

The InChIKey is CSWQAXHAVSQGGL-CXAGYDPISA-N. The full InChI is InChI=1S/C22H26F3N7O2/c1-3-13-11-31(19(33)7-22(23,24)25)5-4-17(13)29-20-16(21(26)34)9-28-32-12-14(6-18(20)32)15-8-27-30(2)10-15/h6,8-10,12-13,17,29H,3-5,7,11H2,1-2H3,(H2,26,34)/t13-,17-/m1/s1.

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

4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3R,4R)-3-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).