5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H25F3N4O2 — CID 26220286

About 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26220286) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26220286
• Molecular Formula: C20H25F3N4O2
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.19
• IUPAC Name: 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1cccc(CN2CCc3c(c(C(=O)N(C)C)nn3CCC(F)(F)F)C2)c1
• InChI: InChI=1S/C20H25F3N4O2/c1-25(2)19(28)18-16-13-26(12-14-5-4-6-15(11-14)29-3)9-7-17(16)27(24-18)10-8-20(21,22)23/h4-6,11H,7-10,12-13H2,1-3H3
• InChIKey: SIKBTOHWNNTSHG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26220286) is 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cccc(CN2CCc3c(c(C(=O)N(C)C)nn3CCC(F)(F)F)C2)c1.

What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is SIKBTOHWNNTSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-25(2)19(28)18-16-13-26(12-14-5-4-6-15(11-14)29-3)9-7-17(16)27(24-18)10-8-20(21,22)23/h4-6,11H,7-10,12-13H2,1-3H3.

What are the key properties of 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26220286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).