[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone

C23H20F2N6O — CID 146456981

IUPAC[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H20F2N6O/c1-14-21-19(22(29(2)28-21)15-11-16(24)13-17(25)12-15)7-10-30(14)23(32)18-5-3-4-6-20(18)31-26-8-9-27-31/h3-6,8-9,11-14H,7,10H2,1-2H3
InChIKeyMJTNPIBWRIKDGR-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.71
Rot. Bonds3

About [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone

[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 146456981) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID146456981
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC Name[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H20F2N6O/c1-14-21-19(22(29(2)28-21)15-11-16(24)13-17(25)12-15)7-10-30(14)23(32)18-5-3-4-6-20(18)31-26-8-9-27-31/h3-6,8-9,11-14H,7,10H2,1-2H3
InChIKeyMJTNPIBWRIKDGR-UHFFFAOYSA-N
XLogP3.71
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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]-[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-fluoro-5-(2-fluoroethoxy)phenyl]methanone
CID 146457469
[2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-8-ylmethanone
CID 146457069
[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)-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
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone
CID 146457091
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 146456823
4-[2-[3-chloro-4-[(7S)-3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one
CID 168935055
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 146457779
4-[3-[(7S)-3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenyl]-1H-pyrrole-2-carbonitrile
CID 168934892

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [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) is [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone is CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is MJTNPIBWRIKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O/c1-14-21-19(22(29(2)28-21)15-11-16(24)13-17(25)12-15)7-10-30(14)23(32)18-5-3-4-6-20(18)31-26-8-9-27-31/h3-6,8-9,11-14H,7,10H2,1-2H3.
What are the key properties of [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 434.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 146456981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).