3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole

C32H31ClF2N4O2 — CID 142581798

About 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole

3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole (PubChem CID 142581798) has the molecular formula C32H31ClF2N4O2 and a molecular weight of 577.08 g/mol. Its IUPAC name is 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole
• PubChem CID: 142581798
• Molecular Formula: C32H31ClF2N4O2
• Molecular Weight: 577.08 g/mol
• Exact Mass: 576.21
• IUPAC Name: 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole
• SMILES: Cc1cc(OC(F)F)c2cc(N3CCC4(CC3)CC(=Cc3c(-c5c(C)cncc5Cl)noc3C3CC3)C4)ccc2n1
• InChI: InChI=1S/C32H31ClF2N4O2/c1-18-16-36-17-25(33)28(18)29-24(30(41-38-29)21-3-4-21)12-20-14-32(15-20)7-9-39(10-8-32)22-5-6-26-23(13-22)27(40-31(34)35)11-19(2)37-26/h5-6,11-13,16-17,21,31H,3-4,7-10,14-15H2,1-2H3
• InChIKey: GPMDAJKCGIGCCC-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 64.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.08
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole?

The IUPAC name of 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole (CID 142581798) is 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole.

What is the SMILES notation for 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole?

The canonical SMILES for 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole is Cc1cc(OC(F)F)c2cc(N3CCC4(CC3)CC(=Cc3c(-c5c(C)cncc5Cl)noc3C3CC3)C4)ccc2n1.

What is the InChIKey of 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole?

The InChIKey is GPMDAJKCGIGCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClF2N4O2/c1-18-16-36-17-25(33)28(18)29-24(30(41-38-29)21-3-4-21)12-20-14-32(15-20)7-9-39(10-8-32)22-5-6-26-23(13-22)27(40-31(34)35)11-19(2)37-26/h5-6,11-13,16-17,21,31H,3-4,7-10,14-15H2,1-2H3.

What are the key properties of 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole?

3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole has a molecular weight of 577.08 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-5-methyl-4-pyridinyl)-5-cyclopropyl-4-[[7-[4-(difluoromethoxy)-2-methylquinolin-6-yl]-7-azaspiro[3.5]nonan-2-ylidene]methyl]-1,2-oxazole is sourced from PubChem (CID 142581798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).