4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane

C53H61FN8O2 — CID 157198834

IUPAC4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane
SMILESC.C.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(F)c1
InChIInChI=1S/C26H28N4O.C25H25FN4O.2CH4/c1-19-5-7-24(20(2)15-19)21-9-12-29(26(31)17-21)23-6-8-25-22(16-23)18-27-30(25)14-13-28-10-3-4-11-28;1-18-4-6-22(23(26)14-18)19-8-11-29(25(31)16-19)21-5-7-24-20(15-21)17-27-30(24)13-12-28-9-2-3-10-28;;/h5-9,12,15-18H,3-4,10-11,13-14H2,1-2H3;4-8,11,14-17H,2-3,9-10,12-13H2,1H3;2*1H4
InChIKeyAQOGKRMJLVYSOP-UHFFFAOYSA-N
MW861.12 g/mol
LogP10.24
Rot. Bonds10

About 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane

4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane (PubChem CID 157198834) has the molecular formula C53H61FN8O2 and a molecular weight of 861.12 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane
PubChem CID157198834
Molecular FormulaC53H61FN8O2
Molecular Weight861.12 g/mol
Exact Mass860.49
IUPAC Name4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane
SMILESC.C.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(F)c1
InChIInChI=1S/C26H28N4O.C25H25FN4O.2CH4/c1-19-5-7-24(20(2)15-19)21-9-12-29(26(31)17-21)23-6-8-25-22(16-23)18-27-30(25)14-13-28-10-3-4-11-28;1-18-4-6-22(23(26)14-18)19-8-11-29(25(31)16-19)21-5-7-24-20(15-21)17-27-30(24)13-12-28-9-2-3-10-28;;/h5-9,12,15-18H,3-4,10-11,13-14H2,1-2H3;4-8,11,14-17H,2-3,9-10,12-13H2,1H3;2*1H4
InChIKeyAQOGKRMJLVYSOP-UHFFFAOYSA-N
XLogP10.24
TPSA86.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.12
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane with MolForge

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Related Compounds

4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
4-(1-methyl-1H-indol-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205152
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
4-(1-methyl-1H-indol-5-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205321
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
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-(2-pyrrolidin-1-ylethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 146216781
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-(2-pyrrolidin-1-ylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 146216748
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-meta-tolylpyridin-2(1H)-one
CID 52948459
4-[2-(4-Fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25055554

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane?
The IUPAC name of 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane (CID 157198834) is 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane is C.C.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(F)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane?
The InChIKey is AQOGKRMJLVYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O.C25H25FN4O.2CH4/c1-19-5-7-24(20(2)15-19)21-9-12-29(26(31)17-21)23-6-8-25-22(16-23)18-27-30(25)14-13-28-10-3-4-11-28;1-18-4-6-22(23(26)14-18)19-8-11-29(25(31)16-19)21-5-7-24-20(15-21)17-27-30(24)13-12-28-9-2-3-10-28;;/h5-9,12,15-18H,3-4,10-11,13-14H2,1-2H3;4-8,11,14-17H,2-3,9-10,12-13H2,1H3;2*1H4.
What are the key properties of 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane?
4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane has a molecular weight of 861.12 g/mol, XLogP of 10.24, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;methane is sourced from PubChem (CID 157198834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).