4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide

C29H33F5N8O5 — CID 177343660

About 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide

4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 177343660) has the molecular formula C29H33F5N8O5 and a molecular weight of 668.62 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 177343660
• Molecular Formula: C29H33F5N8O5
• Molecular Weight: 668.62 g/mol
• Exact Mass: 668.25
• IUPAC Name: 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
• SMILES: O=C(N[C@H](c1cn2ncc(C[C@@]3(N4CCOCC4O)C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1)c1nonc1C1CC1
• InChI: InChI=1S/C29H33F5N8O5/c30-28(31)5-3-17(4-6-28)22(38-25(44)24-23(16-1-2-16)39-47-40-24)18-13-42-20(36-18)9-15(12-35-42)10-27(41-7-8-46-14-21(41)43)11-19(29(32,33)34)37-26(27)45/h9,12-13,16-17,19,21-22,43H,1-8,10-11,14H2,(H,37,45)(H,38,44)/t19-,21?,22-,27+/m0/s1
• InChIKey: KSOHGRYIIWEKOY-CAKMSMJJSA-N
• XLogP: 2.67
• TPSA: 160.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.62
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide (CID 177343660) is 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide is O=C(N[C@H](c1cn2ncc(C[C@@]3(N4CCOCC4O)C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1)c1nonc1C1CC1.

What is the InChIKey of 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is KSOHGRYIIWEKOY-CAKMSMJJSA-N. The full InChI is InChI=1S/C29H33F5N8O5/c30-28(31)5-3-17(4-6-28)22(38-25(44)24-23(16-1-2-16)39-47-40-24)18-13-42-20(36-18)9-15(12-35-42)10-27(41-7-8-46-14-21(41)43)11-19(29(32,33)34)37-26(27)45/h9,12-13,16-17,19,21-22,43H,1-8,10-11,14H2,(H,37,45)(H,38,44)/t19-,21?,22-,27+/m0/s1.

What are the key properties of 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide?

4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 668.62 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3R,5S)-3-(3-hydroxymorpholin-4-yl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 177343660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).