5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

C24H22ClF2N5O4 — CID 168935051

About 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 168935051) has the molecular formula C24H22ClF2N5O4 and a molecular weight of 517.92 g/mol. Its IUPAC name is 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
• PubChem CID: 168935051
• Molecular Formula: C24H22ClF2N5O4
• Molecular Weight: 517.92 g/mol
• Exact Mass: 517.13
• IUPAC Name: 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
• SMILES: CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccnc(OCC2CNC(=O)O2)c1Cl
• InChI: InChI=1S/C24H22ClF2N5O4/c1-12-20-18(21(31(2)30-20)13-7-14(26)9-15(27)8-13)4-6-32(12)23(33)17-3-5-28-22(19(17)25)35-11-16-10-29-24(34)36-16/h3,5,7-9,12,16H,4,6,10-11H2,1-2H3,(H,29,34)
• InChIKey: AAKHOEZZFLPXHA-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.92
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (CID 168935051) is 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccnc(OCC2CNC(=O)O2)c1Cl.

What is the InChIKey of 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?

The InChIKey is AAKHOEZZFLPXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N5O4/c1-12-20-18(21(31(2)30-20)13-7-14(26)9-15(27)8-13)4-6-32(12)23(33)17-3-5-28-22(19(17)25)35-11-16-10-29-24(34)36-16/h3,5,7-9,12,16H,4,6,10-11H2,1-2H3,(H,29,34).

What are the key properties of 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?

5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 517.92 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 168935051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).