methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)

C52H68N8O2 — CID 158564619

IUPACmethane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)
SMILESC.C.CC1CC=C(c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)CC1.CC1CC=C(c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)CC1
InChIInChI=1S/2C25H30N4O.2CH4/c2*1-19-4-6-20(7-5-19)21-10-13-28(25(30)17-21)23-8-9-24-22(16-23)18-26-29(24)15-14-27-11-2-3-12-27;;/h2*6,8-10,13,16-19H,2-5,7,11-12,14-15H2,1H3;2*1H4
InChIKeyHRHVLLXINODAIJ-UHFFFAOYSA-N
MW837.17 g/mol
LogP10.24
Rot. Bonds10

About methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)

methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one) (PubChem CID 158564619) has the molecular formula C52H68N8O2 and a molecular weight of 837.17 g/mol. Its IUPAC name is methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one).

Molecular Properties

Compound Namemethane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)
PubChem CID158564619
Molecular FormulaC52H68N8O2
Molecular Weight837.17 g/mol
Exact Mass836.55
IUPAC Namemethane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)
SMILESC.C.CC1CC=C(c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)CC1.CC1CC=C(c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)CC1
InChIInChI=1S/2C25H30N4O.2CH4/c2*1-19-4-6-20(7-5-19)21-10-13-28(25(30)17-21)23-8-9-24-22(16-23)18-26-29(24)15-14-27-11-2-3-12-27;;/h2*6,8-10,13,16-19H,2-5,7,11-12,14-15H2,1H3;2*1H4
InChIKeyHRHVLLXINODAIJ-UHFFFAOYSA-N
XLogP10.24
TPSA86.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.17
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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
4-phenyl-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25207583
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-meta-tolylpyridin-2(1H)-one
CID 52948459
1-Benzyl-5-(1-methylindazol-6-yl)pyridin-2-one
CID 162662123
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 methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)?
The IUPAC name of methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one) (CID 158564619) is methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one).
What is the SMILES notation for methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)?
The canonical SMILES for methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one) is C.C.CC1CC=C(c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)CC1.CC1CC=C(c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)CC1.
What is the InChIKey of methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)?
The InChIKey is HRHVLLXINODAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H30N4O.2CH4/c2*1-19-4-6-20(7-5-19)21-10-13-28(25(30)17-21)23-8-9-24-22(16-23)18-26-29(24)15-14-27-11-2-3-12-27;;/h2*6,8-10,13,16-19H,2-5,7,11-12,14-15H2,1H3;2*1H4.
What are the key properties of methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one)?
methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one) has a molecular weight of 837.17 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 methane;bis(4-(4-methylcyclohexen-1-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one) is sourced from PubChem (CID 158564619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).