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

C24H26N6O3 — CID 138704466

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 138704466) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
• PubChem CID: 138704466
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
• SMILES: N#Cc1cnn2c(-c3cc(NC45CCC(O)(CC4)CC5)c(C(=O)NCCO)cn3)ccc2c1
• InChI: InChI=1S/C24H26N6O3/c25-13-16-11-17-1-2-21(30(17)28-14-16)20-12-19(18(15-27-20)22(32)26-9-10-31)29-23-3-6-24(33,7-4-23)8-5-23/h1-2,11-12,14-15,31,33H,3-10H2,(H,26,32)(H,27,29)
• InChIKey: HMGOHFOHUAPXGU-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 135.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 138704466) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide.

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

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

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

The InChIKey is HMGOHFOHUAPXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c25-13-16-11-17-1-2-21(30(17)28-14-16)20-12-19(18(15-27-20)22(32)26-9-10-31)29-23-3-6-24(33,7-4-23)8-5-23/h1-2,11-12,14-15,31,33H,3-10H2,(H,26,32)(H,27,29).

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 138704466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).