4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C51H53ClN8O4 — CID 157156254

IUPAC4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCCOc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1.COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(Cl)c1
InChIInChI=1S/C26H28N4O2.C25H25ClN4O2/c1-2-32-24-8-5-20(6-9-24)21-11-14-29(26(31)18-21)23-7-10-25-22(17-23)19-27-30(25)16-15-28-12-3-4-13-28;1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h5-11,14,17-19H,2-4,12-13,15-16H2,1H3;4-8,11,14-17H,2-3,9-10,12-13H2,1H3
InChIKeyALVMWMSKEQQFKR-UHFFFAOYSA-N
MW877.49 g/mol
LogP8.96
Rot. Bonds13

About 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 157156254) has the molecular formula C51H53ClN8O4 and a molecular weight of 877.49 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID157156254
Molecular FormulaC51H53ClN8O4
Molecular Weight877.49 g/mol
Exact Mass876.39
IUPAC Name4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCCOc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1.COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(Cl)c1
InChIInChI=1S/C26H28N4O2.C25H25ClN4O2/c1-2-32-24-8-5-20(6-9-24)21-11-14-29(26(31)18-21)23-7-10-25-22(17-23)19-27-30(25)16-15-28-12-3-4-13-28;1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h5-11,14,17-19H,2-4,12-13,15-16H2,1H3;4-8,11,14-17H,2-3,9-10,12-13H2,1H3
InChIKeyALVMWMSKEQQFKR-UHFFFAOYSA-N
XLogP8.96
TPSA104.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.49
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one with MolForge

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Related Compounds

4-(4-chloro-2-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205827
4-(2-chloro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206454
4-(4-Chloro-2-fluorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 158170923
4-(2-Chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 159372633
4-[2,4-Bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 159495335
4-[2-Chloro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 159614328
4-(3-Chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(3-phenoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 160158358
4-[(2-Chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(3-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(4-chlorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(3,4-difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(4-methoxyphenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(naphthalen-2-ylmethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 160258425
4-(4-Chloro-2-fluorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-fluoro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 160311238
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 160484907
4-(4-Chloro-2-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-chloro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 161360477
4-(3-Chlorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(3-phenoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 161697672

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 157156254) is 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is CCOc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1.COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is ALVMWMSKEQQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.C25H25ClN4O2/c1-2-32-24-8-5-20(6-9-24)21-11-14-29(26(31)18-21)23-7-10-25-22(17-23)19-27-30(25)16-15-28-12-3-4-13-28;1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h5-11,14,17-19H,2-4,12-13,15-16H2,1H3;4-8,11,14-17H,2-3,9-10,12-13H2,1H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 877.49 g/mol, XLogP of 8.96, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 157156254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).