[(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone

C23H23F3N4O2 — CID 146457140

IUPAC[(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone
SMILESCOc1nccc(C(=O)N2CCc3c(nn(C)c3-c3cc(F)cc(C(F)F)c3)[C@@H]2C)c1C
InChIInChI=1S/C23H23F3N4O2/c1-12-17(5-7-27-22(12)32-4)23(31)30-8-6-18-19(13(30)2)28-29(3)20(18)14-9-15(21(25)26)11-16(24)10-14/h5,7,9-11,13,21H,6,8H2,1-4H3/t13-/m0/s1
InChIKeyCYUDJOFNCAOIHE-ZDUSSCGKSA-N
MW444.46 g/mol
LogP4.64
Rot. Bonds4

About [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone

[(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone (PubChem CID 146457140) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone
PubChem CID146457140
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name[(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone
SMILESCOc1nccc(C(=O)N2CCc3c(nn(C)c3-c3cc(F)cc(C(F)F)c3)[C@@H]2C)c1C
InChIInChI=1S/C23H23F3N4O2/c1-12-17(5-7-27-22(12)32-4)23(31)30-8-6-18-19(13(30)2)28-29(3)20(18)14-9-15(21(25)26)11-16(24)10-14/h5,7,9-11,13,21H,6,8H2,1-4H3/t13-/m0/s1
InChIKeyCYUDJOFNCAOIHE-ZDUSSCGKSA-N
XLogP4.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone with MolForge

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Related Compounds

[(7S)-6-(2-methoxy-3-methylpyridine-4-carbonyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl] trifluoromethanesulfonate
CID 146457393
5-[[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 168935051
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone
CID 146457839
[(7S)-3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-(18F)fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone
CID 153470315
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146456981
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-4-pyridinyl)methanone
CID 146457565
(5-chloroquinolin-6-yl)-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146457693
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-fluoro-5-(2-fluoroethoxy)phenyl]methanone
CID 146457469
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxy-2-methyl-3-pyridinyl)methanone
CID 146457832
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
CID 146457704
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxy-3-pyridinyl)methanone
CID 146456854
[2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-8-ylmethanone
CID 146457069

Frequently Asked Questions

What is the IUPAC name of [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone?
The IUPAC name of [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone (CID 146457140) is [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone?
The canonical SMILES for [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone is COc1nccc(C(=O)N2CCc3c(nn(C)c3-c3cc(F)cc(C(F)F)c3)[C@@H]2C)c1C.
What is the InChIKey of [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone?
The InChIKey is CYUDJOFNCAOIHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-12-17(5-7-27-22(12)32-4)23(31)30-8-6-18-19(13(30)2)28-29(3)20(18)14-9-15(21(25)26)11-16(24)10-14/h5,7,9-11,13,21H,6,8H2,1-4H3/t13-/m0/s1.
What are the key properties of [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone?
[(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone has a molecular weight of 444.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-3-[3-(difluoromethyl)-5-fluorophenyl]-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-3-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 146457140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).