2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

C28H29F2N5O5 — CID 122474153

About 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 122474153) has the molecular formula C28H29F2N5O5 and a molecular weight of 553.57 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

• Compound Name: 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
• PubChem CID: 122474153
• Molecular Formula: C28H29F2N5O5
• Molecular Weight: 553.57 g/mol
• Exact Mass: 553.21
• IUPAC Name: 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
• SMILES: COc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(CC(=O)N5CCOCC5)nc4C)cc3C3(CC3)C2=O)c1F
• InChI: InChI=1S/C28H29F2N5O5/c1-16-18(14-34(32-16)15-23(36)33-6-8-40-9-7-33)20-10-19-17(12-31-20)13-35(27(37)28(19)4-5-28)26-24(29)21(38-2)11-22(39-3)25(26)30/h10-12,14H,4-9,13,15H2,1-3H3
• InChIKey: HFPTTWKUDKQJKO-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 99.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.57
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?

The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 122474153) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?

The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cn(CC(=O)N5CCOCC5)nc4C)cc3C3(CC3)C2=O)c1F.

What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?

The InChIKey is HFPTTWKUDKQJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O5/c1-16-18(14-34(32-16)15-23(36)33-6-8-40-9-7-33)20-10-19-17(12-31-20)13-35(27(37)28(19)4-5-28)26-24(29)21(38-2)11-22(39-3)25(26)30/h10-12,14H,4-9,13,15H2,1-3H3.

What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 553.57 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 122474153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).