3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide

C23H25F2N5O5S — CID 162359060

About 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide

3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 162359060) has the molecular formula C23H25F2N5O5S and a molecular weight of 521.55 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide
• PubChem CID: 162359060
• Molecular Formula: C23H25F2N5O5S
• Molecular Weight: 521.55 g/mol
• Exact Mass: 521.15
• IUPAC Name: 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide
• SMILES: CC1(NC(=O)c2cc3c(cn2)c(-c2cncc(OC(F)F)c2)nn3C2CCOCC2)CCS(=O)(=O)C1
• InChI: InChI=1S/C23H25F2N5O5S/c1-23(4-7-36(32,33)13-23)28-21(31)18-9-19-17(12-27-18)20(29-30(19)15-2-5-34-6-3-15)14-8-16(11-26-10-14)35-22(24)25/h8-12,15,22H,2-7,13H2,1H3,(H,28,31)
• InChIKey: WCERTLBFPWCUPX-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 125.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.55
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide (CID 162359060) is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide.

What is the SMILES notation for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The canonical SMILES for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide is CC1(NC(=O)c2cc3c(cn2)c(-c2cncc(OC(F)F)c2)nn3C2CCOCC2)CCS(=O)(=O)C1.

What is the InChIKey of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide?

The InChIKey is WCERTLBFPWCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O5S/c1-23(4-7-36(32,33)13-23)28-21(31)18-9-19-17(12-27-18)20(29-30(19)15-2-5-34-6-3-15)14-8-16(11-26-10-14)35-22(24)25/h8-12,15,22H,2-7,13H2,1H3,(H,28,31).

What are the key properties of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide?

3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 521.55 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 162359060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).