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

C22H20F4N4O2 — CID 146515590

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone
SMILESCn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1cc(F)cc(OCCF)c1)[C@H]2N
InChIInChI=1S/C22H20F4N4O2/c1-29-20(12-6-14(24)10-15(25)7-12)18-2-4-30(21(27)19(18)28-29)22(31)13-8-16(26)11-17(9-13)32-5-3-23/h6-11,21H,2-5,27H2,1H3/t21-/m1/s1
InChIKeyHYABRCPVZOGQII-OAQYLSRUSA-N
MW448.42 g/mol
LogP3.51
Rot. Bonds5

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

[(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone (PubChem CID 146515590) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone
PubChem CID146515590
Molecular FormulaC22H20F4N4O2
Molecular Weight448.42 g/mol
Exact Mass448.15
IUPAC Name[(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone
SMILESCn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1cc(F)cc(OCCF)c1)[C@H]2N
InChIInChI=1S/C22H20F4N4O2/c1-29-20(12-6-14(24)10-15(25)7-12)18-2-4-30(21(27)19(18)28-29)22(31)13-8-16(26)11-17(9-13)32-5-3-23/h6-11,21H,2-5,27H2,1H3/t21-/m1/s1
InChIKeyHYABRCPVZOGQII-OAQYLSRUSA-N
XLogP3.51
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone?
The IUPAC name of [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone (CID 146515590) is [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone.
What is the SMILES notation for [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone?
The canonical SMILES for [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone is Cn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1cc(F)cc(OCCF)c1)[C@H]2N.
What is the InChIKey of [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone?
The InChIKey is HYABRCPVZOGQII-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c1-29-20(12-6-14(24)10-15(25)7-12)18-2-4-30(21(27)19(18)28-29)22(31)13-8-16(26)11-17(9-13)32-5-3-23/h6-11,21H,2-5,27H2,1H3/t21-/m1/s1.
What are the key properties of [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone?
[(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone has a molecular weight of 448.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-amino-3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-fluoro-5-(2-fluoroethoxy)phenyl]methanone is sourced from PubChem (CID 146515590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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