6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

C30H33FN8O3 — CID 146423151

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 146423151) has the molecular formula C30H33FN8O3 and a molecular weight of 572.65 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• PubChem CID: 146423151
• Molecular Formula: C30H33FN8O3
• Molecular Weight: 572.65 g/mol
• Exact Mass: 572.27
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2nnc(C3CC3)o2)CC1
• InChI: InChI=1S/C30H33FN8O3/c1-30(2,41)26(31)16-34-27(40)22-15-33-24(25-10-9-21-11-17(13-32)14-35-39(21)25)12-23(22)36-20-7-5-19(6-8-20)29-38-37-28(42-29)18-3-4-18/h9-12,14-15,18-20,26,41H,3-8,16H2,1-2H3,(H,33,36)(H,34,40)/t19?,20?,26-/m1/s1
• InChIKey: QVAXYGWTEGAFAZ-XYVRPBRGSA-N
• XLogP: 4.51
• TPSA: 154.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.65
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 146423151) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2nnc(C3CC3)o2)CC1.

What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

The InChIKey is QVAXYGWTEGAFAZ-XYVRPBRGSA-N. The full InChI is InChI=1S/C30H33FN8O3/c1-30(2,41)26(31)16-34-27(40)22-15-33-24(25-10-9-21-11-17(13-32)14-35-39(21)25)12-23(22)36-20-7-5-19(6-8-20)29-38-37-28(42-29)18-3-4-18/h9-12,14-15,18-20,26,41H,3-8,16H2,1-2H3,(H,33,36)(H,34,40)/t19?,20?,26-/m1/s1.

What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 572.65 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 146423151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).