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

C22H23F3N8O — CID 156863505

About [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone (PubChem CID 156863505) has the molecular formula C22H23F3N8O and a molecular weight of 472.48 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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone
• PubChem CID: 156863505
• Molecular Formula: C22H23F3N8O
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.19
• 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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone
• SMILES: Cc1cc2c(cnn2C)nc1C(=O)N1CCc2c(nn(C)c2-c2cc(C(F)(F)F)nn2C)[C@@H]1C
• InChI: InChI=1S/C22H23F3N8O/c1-11-8-15-14(10-26-30(15)3)27-18(11)21(34)33-7-6-13-19(12(33)2)29-32(5)20(13)16-9-17(22(23,24)25)28-31(16)4/h8-10,12H,6-7H2,1-5H3/t12-/m0/s1
• InChIKey: LQUASMDNQKLWIJ-LBPRGKRZSA-N
• XLogP: 3.19
• TPSA: 86.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	3.19
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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone (CID 156863505) is [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone is Cc1cc2c(cnn2C)nc1C(=O)N1CCc2c(nn(C)c2-c2cc(C(F)(F)F)nn2C)[C@@H]1C.

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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone?

The InChIKey is LQUASMDNQKLWIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H23F3N8O/c1-11-8-15-14(10-26-30(15)3)27-18(11)21(34)33-7-6-13-19(12(33)2)29-32(5)20(13)16-9-17(22(23,24)25)28-31(16)4/h8-10,12H,6-7H2,1-5H3/t12-/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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone has a molecular weight of 472.48 g/mol, XLogP of 3.19, 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]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone is sourced from PubChem (CID 156863505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).