4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C22H30N8O3 — CID 66547327

About 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 66547327) has the molecular formula C22H30N8O3 and a molecular weight of 454.54 g/mol. Its IUPAC name is 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 66547327
• Molecular Formula: C22H30N8O3
• Molecular Weight: 454.54 g/mol
• Exact Mass: 454.24
• IUPAC Name: 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: C[C@@H](Nc1c(C(N)=O)cnn2cc(-c3nnc(NCCN4CCOCC4)o3)cc12)C1(C)CC1
• InChI: InChI=1S/C22H30N8O3/c1-14(22(2)3-4-22)26-18-16(19(23)31)12-25-30-13-15(11-17(18)30)20-27-28-21(33-20)24-5-6-29-7-9-32-10-8-29/h11-14,26H,3-10H2,1-2H3,(H2,23,31)(H,24,28)/t14-/m1/s1
• InChIKey: VPNFHECRVYQCKL-CQSZACIVSA-N
• XLogP: 1.83
• TPSA: 135.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.54
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 66547327) is 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is C[C@@H](Nc1c(C(N)=O)cnn2cc(-c3nnc(NCCN4CCOCC4)o3)cc12)C1(C)CC1.

What is the InChIKey of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is VPNFHECRVYQCKL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H30N8O3/c1-14(22(2)3-4-22)26-18-16(19(23)31)12-25-30-13-15(11-17(18)30)20-27-28-21(33-20)24-5-6-29-7-9-32-10-8-29/h11-14,26H,3-10H2,1-2H3,(H2,23,31)(H,24,28)/t14-/m1/s1.

What are the key properties of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?

4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 454.54 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(2-morpholin-4-ylethylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 66547327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).