6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide

C26H27FN6O2 — CID 138703944

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide (PubChem CID 138703944) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide
• PubChem CID: 138703944
• Molecular Formula: C26H27FN6O2
• Molecular Weight: 474.54 g/mol
• Exact Mass: 474.22
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide
• SMILES: N#Cc1cnn2c(-c3cc(NC45CCC(O)(CC4)CC5)c(C(=O)NC4(CF)CC4)cn3)ccc2c1
• InChI: InChI=1S/C26H27FN6O2/c27-16-25(3-4-25)32-23(34)19-15-29-21(22-2-1-18-11-17(13-28)14-30-33(18)22)12-20(19)31-24-5-8-26(35,9-6-24)10-7-24/h1-2,11-12,14-15,35H,3-10,16H2,(H,29,31)(H,32,34)
• InChIKey: AIMPFCFRGCTXRU-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 115.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.54
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide (CID 138703944) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide is N#Cc1cnn2c(-c3cc(NC45CCC(O)(CC4)CC5)c(C(=O)NC4(CF)CC4)cn3)ccc2c1.

What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide?

The InChIKey is AIMPFCFRGCTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c27-16-25(3-4-25)32-23(34)19-15-29-21(22-2-1-18-11-17(13-28)14-30-33(18)22)12-20(19)31-24-5-8-26(35,9-6-24)10-7-24/h1-2,11-12,14-15,35H,3-10,16H2,(H,29,31)(H,32,34).

What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[1-(fluoromethyl)cyclopropyl]-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).