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

C22H19F4N3O2 — CID 146515445

IUPAC[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
SMILESCn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc(F)c(OCCF)c1)C2
InChIInChI=1S/C22H19F4N3O2/c1-28-21(14-8-15(24)11-16(25)9-14)17-4-6-29(12-19(17)27-28)22(30)13-2-3-18(26)20(10-13)31-7-5-23/h2-3,8-11H,4-7,12H2,1H3
InChIKeyZZQAFJIRNCKRLW-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.05
Rot. Bonds5

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

[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone (PubChem CID 146515445) has the molecular formula C22H19F4N3O2 and a molecular weight of 433.41 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
PubChem CID146515445
Molecular FormulaC22H19F4N3O2
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC Name[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
SMILESCn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc(F)c(OCCF)c1)C2
InChIInChI=1S/C22H19F4N3O2/c1-28-21(14-8-15(24)11-16(25)9-14)17-4-6-29(12-19(17)27-28)22(30)13-2-3-18(26)20(10-13)31-7-5-23/h2-3,8-11H,4-7,12H2,1H3
InChIKeyZZQAFJIRNCKRLW-UHFFFAOYSA-N
XLogP4.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-5-(2-fluoroethoxy)phenyl]-[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516229
[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
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone
CID 146515480
[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146515843
[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146515465
(3-methylimidazo[1,5-a]pyridin-6-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515616
[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
[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515545
[5-(methoxymethyl)-3-pyridinyl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515863
[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515765
[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146516213
(2-chloro-3-methoxyphenyl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515459

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone (CID 146515445) is [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone is Cn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc(F)c(OCCF)c1)C2.
What is the InChIKey of [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone?
The InChIKey is ZZQAFJIRNCKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O2/c1-28-21(14-8-15(24)11-16(25)9-14)17-4-6-29(12-19(17)27-28)22(30)13-2-3-18(26)20(10-13)31-7-5-23/h2-3,8-11H,4-7,12H2,1H3.
What are the key properties of [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone?
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone has a molecular weight of 433.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone is sourced from PubChem (CID 146515445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).