5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C21H17F2N5O — CID 127050527

IUPAC5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCn1cc2c(-c3cc(F)c(CN4CCn5nccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-8-28-20(21(27)29)5-6-24-28/h2-6,9-11H,7-8,12H2,1H3
InChIKeyIEJGXIXJQXIESF-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.37
Rot. Bonds3

About 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 127050527) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID127050527
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCn1cc2c(-c3cc(F)c(CN4CCn5nccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-8-28-20(21(27)29)5-6-24-28/h2-6,9-11H,7-8,12H2,1H3
InChIKeyIEJGXIXJQXIESF-UHFFFAOYSA-N
XLogP3.37
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
CID 24791863
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153
4-(naphthalen-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205317
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 25205318
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-ortho-tolylpyridin-2(1H)-one
CID 25205493
4-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206616
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407
1-[(4-Fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
CID 56649530
1-(6-fluoropyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138868
3-(2,6-Difluoro-4-(2-methyl-2H-indazol-4-YL)benzyl)pyrido [3,4-D]pyrimidin-4(3H)-one
CID 86298473
(6-fluoro-1-isopropyl-1H-indazol-3-yl)(4-(2-(trifluoro-methyl)phenyl)piperidin-1-yl)methanone
CID 117607488

Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 127050527) is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cn1cc2c(-c3cc(F)c(CN4CCn5nccc5C4=O)c(F)c3)cccc2n1.
What is the InChIKey of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IEJGXIXJQXIESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-8-28-20(21(27)29)5-6-24-28/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 393.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 127050527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).