[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone

C21H21F3N8O — CID 156863637

About [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone

[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone (PubChem CID 156863637) has the molecular formula C21H21F3N8O and a molecular weight of 458.45 g/mol. Its IUPAC name is [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone.

Molecular Properties

• Compound Name: [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone
• PubChem CID: 156863637
• Molecular Formula: C21H21F3N8O
• Molecular Weight: 458.45 g/mol
• Exact Mass: 458.18
• IUPAC Name: [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone
• SMILES: C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1nccc2c1cnn2C
• InChI: InChI=1S/C21H21F3N8O/c1-11-17-12(19(31(4)28-17)15-9-16(21(22,23)24)27-30(15)3)6-8-32(11)20(33)18-13-10-26-29(2)14(13)5-7-25-18/h5,7,9-11H,6,8H2,1-4H3/t11-/m0/s1
• InChIKey: ZZRNFCZGVUHCNL-NSHDSACASA-N
• XLogP: 2.88
• TPSA: 86.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.45
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone?

The IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone (CID 156863637) is [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone.

What is the SMILES notation for [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone?

The canonical SMILES for [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone is C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1nccc2c1cnn2C.

What is the InChIKey of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone?

The InChIKey is ZZRNFCZGVUHCNL-NSHDSACASA-N. The full InChI is InChI=1S/C21H21F3N8O/c1-11-17-12(19(31(4)28-17)15-9-16(21(22,23)24)27-30(15)3)6-8-32(11)20(33)18-13-10-26-29(2)14(13)5-7-25-18/h5,7,9-11H,6,8H2,1-4H3/t11-/m0/s1.

What are the key properties of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone?

[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone has a molecular weight of 458.45 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[4,5-c]pyridin-4-yl)methanone is sourced from PubChem (CID 156863637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).