2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid

C29H30N4O3S — CID 163901060

About 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid

2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 163901060) has the molecular formula C29H30N4O3S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid
• PubChem CID: 163901060
• Molecular Formula: C29H30N4O3S
• Molecular Weight: 514.65 g/mol
• Exact Mass: 514.20
• IUPAC Name: 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid
• SMILES: Cc1ccccc1-c1noc(C2CC2)c1CC1CC2(CCN(c3nc4ccc(C(=O)O)nc4s3)CC2)C1
• InChI: InChI=1S/C29H30N4O3S/c1-17-4-2-3-5-20(17)24-21(25(36-32-24)19-6-7-19)14-18-15-29(16-18)10-12-33(13-11-29)28-31-22-8-9-23(27(34)35)30-26(22)37-28/h2-5,8-9,18-19H,6-7,10-16H2,1H3,(H,34,35)
• InChIKey: QJXHXQVNFCPHKF-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 92.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.65
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid?

The IUPAC name of 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid (CID 163901060) is 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid?

The canonical SMILES for 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid is Cc1ccccc1-c1noc(C2CC2)c1CC1CC2(CCN(c3nc4ccc(C(=O)O)nc4s3)CC2)C1.

What is the InChIKey of 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid?

The InChIKey is QJXHXQVNFCPHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3S/c1-17-4-2-3-5-20(17)24-21(25(36-32-24)19-6-7-19)14-18-15-29(16-18)10-12-33(13-11-29)28-31-22-8-9-23(27(34)35)30-26(22)37-28/h2-5,8-9,18-19H,6-7,10-16H2,1H3,(H,34,35).

What are the key properties of 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid?

2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 514.65 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 163901060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).