2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H31FN6O2 — CID 118069154

IUPAC2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(C)CC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC(C)(C)N1
InChIInChI=1S/C23H31FN6O2/c1-22(2)11-16(12-23(3,4)28-22)26-21(32)29-8-9-30-17(13-29)18(20(25)31)19(27-30)14-6-5-7-15(24)10-14/h5-7,10,16,28H,8-9,11-13H2,1-4H3,(H2,25,31)(H,26,32)
InChIKeyFJHKXMFTUUZYIC-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.62
Rot. Bonds3

About 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069154) has the molecular formula C23H31FN6O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069154
Molecular FormulaC23H31FN6O2
Molecular Weight442.54 g/mol
Exact Mass442.25
IUPAC Name2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(C)CC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC(C)(C)N1
InChIInChI=1S/C23H31FN6O2/c1-22(2)11-16(12-23(3,4)28-22)26-21(32)29-8-9-30-17(13-29)18(20(25)31)19(27-30)14-6-5-7-15(24)10-14/h5-7,10,16,28H,8-9,11-13H2,1-4H3,(H2,25,31)(H,26,32)
InChIKeyFJHKXMFTUUZYIC-UHFFFAOYSA-N
XLogP2.62
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645919
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645920
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645921
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645922
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645926
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(1,1,2,2,2-pentafluoroethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645927
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645929
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645930
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645935
US9598423, Example 108
CID 118071186
2-(1-ethyl-4-(2-fluorophenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 25063701

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069154) is 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC1(C)CC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC(C)(C)N1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is FJHKXMFTUUZYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6O2/c1-22(2)11-16(12-23(3,4)28-22)26-21(32)29-8-9-30-17(13-29)18(20(25)31)19(27-30)14-6-5-7-15(24)10-14/h5-7,10,16,28H,8-9,11-13H2,1-4H3,(H2,25,31)(H,26,32).
What are the key properties of 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).