[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone

C25H25F3N6O — CID 166034983

IUPAC[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCc4c(nn(C)c4-c4cnn(C)c4C(F)(F)F)[C@@H]3C)cc(C)c2n1
InChIInChI=1S/C25H25F3N6O/c1-13-10-17(11-16-7-6-14(2)30-20(13)16)24(35)34-9-8-18-21(15(34)3)31-32(4)22(18)19-12-29-33(5)23(19)25(26,27)28/h6-7,10-12,15H,8-9H2,1-5H3/t15-/m0/s1
InChIKeyUYIFREMTVTXPDB-HNNXBMFYSA-N
MW482.51 g/mol
LogP4.76
Rot. Bonds2

About [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone

[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone (PubChem CID 166034983) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone.

Molecular Properties

Compound Name[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone
PubChem CID166034983
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCc4c(nn(C)c4-c4cnn(C)c4C(F)(F)F)[C@@H]3C)cc(C)c2n1
InChIInChI=1S/C25H25F3N6O/c1-13-10-17(11-16-7-6-14(2)30-20(13)16)24(35)34-9-8-18-21(15(34)3)31-32(4)22(18)19-12-29-33(5)23(19)25(26,27)28/h6-7,10-12,15H,8-9H2,1-5H3/t15-/m0/s1
InChIKeyUYIFREMTVTXPDB-HNNXBMFYSA-N
XLogP4.76
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone?
The IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone (CID 166034983) is [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone.
What is the SMILES notation for [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone?
The canonical SMILES for [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)N3CCc4c(nn(C)c4-c4cnn(C)c4C(F)(F)F)[C@@H]3C)cc(C)c2n1.
What is the InChIKey of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone?
The InChIKey is UYIFREMTVTXPDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-13-10-17(11-16-7-6-14(2)30-20(13)16)24(35)34-9-8-18-21(15(34)3)31-32(4)22(18)19-12-29-33(5)23(19)25(26,27)28/h6-7,10-12,15H,8-9H2,1-5H3/t15-/m0/s1.
What are the key properties of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone?
[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone has a molecular weight of 482.51 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2,8-dimethylquinolin-6-yl)methanone is sourced from PubChem (CID 166034983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).