6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid

C30H30Cl2N4O5 — CID 146364255

About 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid

6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 146364255) has the molecular formula C30H30Cl2N4O5 and a molecular weight of 597.50 g/mol. Its IUPAC name is 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid
• PubChem CID: 146364255
• Molecular Formula: C30H30Cl2N4O5
• Molecular Weight: 597.50 g/mol
• Exact Mass: 596.16
• IUPAC Name: 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cccc(NC(=O)N2C3CCC2CC2(CC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C2)C3)n1
• InChI: InChI=1S/C30H30Cl2N4O5/c31-21-3-1-4-22(32)25(21)26-20(27(41-35-26)16-7-8-16)15-40-19-13-30(14-19)11-17-9-10-18(12-30)36(17)29(39)34-24-6-2-5-23(33-24)28(37)38/h1-6,16-19H,7-15H2,(H,37,38)(H,33,34,39)
• InChIKey: DXZQYFGKLMLQOZ-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 117.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.50
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid?

The IUPAC name of 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid (CID 146364255) is 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC(=O)N2C3CCC2CC2(CC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C2)C3)n1.

What is the InChIKey of 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid?

The InChIKey is DXZQYFGKLMLQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N4O5/c31-21-3-1-4-22(32)25(21)26-20(27(41-35-26)16-7-8-16)15-40-19-13-30(14-19)11-17-9-10-18(12-30)36(17)29(39)34-24-6-2-5-23(33-24)28(37)38/h1-6,16-19H,7-15H2,(H,37,38)(H,33,34,39).

What are the key properties of 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid?

6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 597.50 g/mol, XLogP of 7.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 146364255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).