7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid

C32H32N8O2 — CID 172558391

About 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid

7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 172558391) has the molecular formula C32H32N8O2 and a molecular weight of 560.66 g/mol. Its IUPAC name is 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid
• PubChem CID: 172558391
• Molecular Formula: C32H32N8O2
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.26
• IUPAC Name: 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid
• SMILES: Cc1cc(-c2cnc3c(C(=O)O)c(-c4cnn(CC56CC7CC(CC(C7)C5)C6)c4)ccn23)nnc1Nc1ccccn1
• InChI: InChI=1S/C32H32N8O2/c1-19-8-25(37-38-29(19)36-27-4-2-3-6-33-27)26-16-34-30-28(31(41)42)24(5-7-40(26)30)23-15-35-39(17-23)18-32-12-20-9-21(13-32)11-22(10-20)14-32/h2-8,15-17,20-22H,9-14,18H2,1H3,(H,41,42)(H,33,36,38)
• InChIKey: OWPWRGHBIAIKEI-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 123.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

The IUPAC name of 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 172558391) is 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid.

What is the SMILES notation for 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

The canonical SMILES for 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid is Cc1cc(-c2cnc3c(C(=O)O)c(-c4cnn(CC56CC7CC(CC(C7)C5)C6)c4)ccn23)nnc1Nc1ccccn1.

What is the InChIKey of 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

The InChIKey is OWPWRGHBIAIKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O2/c1-19-8-25(37-38-29(19)36-27-4-2-3-6-33-27)26-16-34-30-28(31(41)42)24(5-7-40(26)30)23-15-35-39(17-23)18-32-12-20-9-21(13-32)11-22(10-20)14-32/h2-8,15-17,20-22H,9-14,18H2,1H3,(H,41,42)(H,33,36,38).

What are the key properties of 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 560.66 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(1-adamantylmethyl)pyrazol-4-yl]-3-[5-methyl-6-(pyridin-2-ylamino)pyridazin-3-yl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 172558391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).