6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid

C29H26Cl2N4O3 — CID 138591792

About 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid

6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 138591792) has the molecular formula C29H26Cl2N4O3 and a molecular weight of 549.46 g/mol. Its IUPAC name is 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
• PubChem CID: 138591792
• Molecular Formula: C29H26Cl2N4O3
• Molecular Weight: 549.46 g/mol
• Exact Mass: 548.14
• IUPAC Name: 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
• SMILES: Cc1nc(C(=O)O)c2ccc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)cn12
• InChI: InChI=1S/C29H26Cl2N4O3/c1-16-32-25(28(36)37)22-8-7-19(15-35(16)22)34-11-9-29(10-12-34)13-18(14-29)23-26(33-38-27(23)17-5-6-17)24-20(30)3-2-4-21(24)31/h2-4,7-8,13,15,17H,5-6,9-12,14H2,1H3,(H,36,37)
• InChIKey: VRWKDDVSCHBDGE-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 83.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.46
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?

The IUPAC name of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 138591792) is 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

What is the SMILES notation for 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?

The canonical SMILES for 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1nc(C(=O)O)c2ccc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)cn12.

What is the InChIKey of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?

The InChIKey is VRWKDDVSCHBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O3/c1-16-32-25(28(36)37)22-8-7-19(15-35(16)22)34-11-9-29(10-12-34)13-18(14-29)23-26(33-38-27(23)17-5-6-17)24-20(30)3-2-4-21(24)31/h2-4,7-8,13,15,17H,5-6,9-12,14H2,1H3,(H,36,37).

What are the key properties of 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?

6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 549.46 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 138591792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).