1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one

C105H114N16O6 — CID 158476359

IUPAC1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4CCCN4CCCC4)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCC[C@@H]4CO)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCC[C@H]4CO)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4C[C@H](C)CN4CCCC4)c3)c(=O)c2)cc1
InChIInChI=1S/C27H30N4O.2C26H28N4O2.C26H28N4O/c1-20-5-7-22(8-6-20)23-11-14-30(27(32)16-23)25-9-10-26-24(15-25)17-28-31(26)19-21(2)18-29-12-3-4-13-29;2*1-19-4-6-20(7-5-19)21-10-12-29(26(32)16-21)23-8-9-25-22(15-23)17-27-30(25)14-13-28-11-2-3-24(28)18-31;1-20-5-7-21(8-6-20)22-11-16-29(26(31)18-22)24-9-10-25-23(17-24)19-27-30(25)15-4-14-28-12-2-3-13-28/h5-11,14-17,21H,3-4,12-13,18-19H2,1-2H3;2*4-10,12,15-17,24,31H,2-3,11,13-14,18H2,1H3;5-11,16-19H,2-4,12-15H2,1H3/t21-;2*24-;/m110./s1
InChIKeyHGZHVAVBENQOQP-JJWCFRKFSA-N
MW1696.17 g/mol
LogP16.78
Rot. Bonds24

About 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one

1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one (PubChem CID 158476359) has the molecular formula C105H114N16O6 and a molecular weight of 1696.17 g/mol. Its IUPAC name is 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one
PubChem CID158476359
Molecular FormulaC105H114N16O6
Molecular Weight1696.17 g/mol
Exact Mass1694.91
IUPAC Name1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4CCCN4CCCC4)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCC[C@@H]4CO)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCC[C@H]4CO)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4C[C@H](C)CN4CCCC4)c3)c(=O)c2)cc1
InChIInChI=1S/C27H30N4O.2C26H28N4O2.C26H28N4O/c1-20-5-7-22(8-6-20)23-11-14-30(27(32)16-23)25-9-10-26-24(15-25)17-28-31(26)19-21(2)18-29-12-3-4-13-29;2*1-19-4-6-20(7-5-19)21-10-12-29(26(32)16-21)23-8-9-25-22(15-23)17-27-30(25)14-13-28-11-2-3-24(28)18-31;1-20-5-7-21(8-6-20)22-11-16-29(26(31)18-22)24-9-10-25-23(17-24)19-27-30(25)15-4-14-28-12-2-3-13-28/h5-11,14-17,21H,3-4,12-13,18-19H2,1-2H3;2*4-10,12,15-17,24,31H,2-3,11,13-14,18H2,1H3;5-11,16-19H,2-4,12-15H2,1H3/t21-;2*24-;/m110./s1
InChIKeyHGZHVAVBENQOQP-JJWCFRKFSA-N
XLogP16.78
TPSA212.70 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.17
LogP ≤ 516.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one with MolForge

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Related Compounds

1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25205980
1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206132
1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719545
1-[1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719546
1-[1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 66719547
1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 69053053
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one
CID 157456539
4-(4-Chloro-2-fluorophenyl)-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;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 157563242
4-(2-fluoro-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;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 158636144
1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 160221644
1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 160233067
1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 160837481

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one (CID 158476359) is 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one is Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCCN4CCCC4)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCC[C@@H]4CO)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCC[C@H]4CO)c3)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c(cnn4C[C@H](C)CN4CCCC4)c3)c(=O)c2)cc1.
What is the InChIKey of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one?
The InChIKey is HGZHVAVBENQOQP-JJWCFRKFSA-N. The full InChI is InChI=1S/C27H30N4O.2C26H28N4O2.C26H28N4O/c1-20-5-7-22(8-6-20)23-11-14-30(27(32)16-23)25-9-10-26-24(15-25)17-28-31(26)19-21(2)18-29-12-3-4-13-29;2*1-19-4-6-20(7-5-19)21-10-12-29(26(32)16-21)23-8-9-25-22(15-23)17-27-30(25)14-13-28-11-2-3-24(28)18-31;1-20-5-7-21(8-6-20)22-11-16-29(26(31)18-22)24-9-10-25-23(17-24)19-27-30(25)15-4-14-28-12-2-3-13-28/h5-11,14-17,21H,3-4,12-13,18-19H2,1-2H3;2*4-10,12,15-17,24,31H,2-3,11,13-14,18H2,1H3;5-11,16-19H,2-4,12-15H2,1H3/t21-;2*24-;/m110./s1.
What are the key properties of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one?
1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one has a molecular weight of 1696.17 g/mol, XLogP of 16.78, 24 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methylphenyl)-1-[1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]indazol-5-yl]pyridin-2-one;4-(4-methylphenyl)-1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 158476359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).