1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C103H110N16O12 — CID 159000815

IUPAC1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCOC[C@H]1CCCN1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC[C@H]2CO)c1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1
InChIInChI=1S/C27H30N4O3.C26H28N4O3.2C25H26N4O3/c1-33-20-24-8-5-12-29(24)14-15-31-26-10-9-23(16-22(26)18-28-31)30-13-11-25(17-27(30)32)34-19-21-6-3-2-4-7-21;31-18-23-7-4-11-28(23)13-14-30-25-9-8-22(15-21(25)17-27-30)29-12-10-24(16-26(29)32)33-19-20-5-2-1-3-6-20;2*30-22-8-10-27(17-22)12-13-29-24-7-6-21(14-20(24)16-26-29)28-11-9-23(15-25(28)31)32-18-19-4-2-1-3-5-19/h2-4,6-7,9-11,13,16-18,24H,5,8,12,14-15,19-20H2,1H3;1-3,5-6,8-10,12,15-17,23,31H,4,7,11,13-14,18-19H2;2*1-7,9,11,14-16,22,30H,8,10,12-13,17-18H2/t24-;23-;2*22-/m1010/s1
InChIKeyJRHWCQIUIDDMOQ-ABVHNSRRSA-N
MW1764.11 g/mol
LogP12.77
Rot. Bonds31

About 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 159000815) has the molecular formula C103H110N16O12 and a molecular weight of 1764.11 g/mol. Its IUPAC name is 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID159000815
Molecular FormulaC103H110N16O12
Molecular Weight1764.11 g/mol
Exact Mass1762.85
IUPAC Name1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESCOC[C@H]1CCCN1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC[C@H]2CO)c1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1
InChIInChI=1S/C27H30N4O3.C26H28N4O3.2C25H26N4O3/c1-33-20-24-8-5-12-29(24)14-15-31-26-10-9-23(16-22(26)18-28-31)30-13-11-25(17-27(30)32)34-19-21-6-3-2-4-7-21;31-18-23-7-4-11-28(23)13-14-30-25-9-8-22(15-21(25)17-27-30)29-12-10-24(16-26(29)32)33-19-20-5-2-1-3-6-20;2*30-22-8-10-27(17-22)12-13-29-24-7-6-21(14-20(24)16-26-29)28-11-9-23(15-25(28)31)32-18-19-4-2-1-3-5-19/h2-4,6-7,9-11,13,16-18,24H,5,8,12,14-15,19-20H2,1H3;1-3,5-6,8-10,12,15-17,23,31H,4,7,11,13-14,18-19H2;2*1-7,9,11,14-16,22,30H,8,10,12-13,17-18H2/t24-;23-;2*22-/m1010/s1
InChIKeyJRHWCQIUIDDMOQ-ABVHNSRRSA-N
XLogP12.77
TPSA279.08 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001764.11
LogP ≤ 512.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one with MolForge

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Related Compounds

(R)-4-(Benzyloxy)-1-(1-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25054013
(s)-4-(Benzyloxy)-1-(1-(2-(3-hydroxypyrrolidin-1-yl)ethyl)-1h-indazol-5-yl)pyridin-2(1h)-one
CID 25054288
(R)-4-(benzyloxy)-1-(1-(2-(2-(methoxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25054289
1-(1-(2-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl)-1H-indazol-5-yl)-4-(benzyloxy)pyridin-2(1H)-one
CID 25054550
4-(benzyloxy)-1-(1-(((4R)-4-hydroxypyrrolidin-2-yl)methyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25054551
(S)-4-(benzyloxy)-1-(1-(2-(3-methoxypyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25057911
1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 157407096
4-(1-Adamantylmethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(cyclopentylmethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
CID 157829812
1-[3-Methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
CID 158625769
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-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(4-methylpiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 160093572
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 159000815) is 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is COC[C@H]1CCCN1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC[C@H]2CO)c1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1.
What is the InChIKey of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is JRHWCQIUIDDMOQ-ABVHNSRRSA-N. The full InChI is InChI=1S/C27H30N4O3.C26H28N4O3.2C25H26N4O3/c1-33-20-24-8-5-12-29(24)14-15-31-26-10-9-23(16-22(26)18-28-31)30-13-11-25(17-27(30)32)34-19-21-6-3-2-4-7-21;31-18-23-7-4-11-28(23)13-14-30-25-9-8-22(15-21(25)17-27-30)29-12-10-24(16-26(29)32)33-19-20-5-2-1-3-6-20;2*30-22-8-10-27(17-22)12-13-29-24-7-6-21(14-20(24)16-26-29)28-11-9-23(15-25(28)31)32-18-19-4-2-1-3-5-19/h2-4,6-7,9-11,13,16-18,24H,5,8,12,14-15,19-20H2,1H3;1-3,5-6,8-10,12,15-17,23,31H,4,7,11,13-14,18-19H2;2*1-7,9,11,14-16,22,30H,8,10,12-13,17-18H2/t24-;23-;2*22-/m1010/s1.
What are the key properties of 1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 1764.11 g/mol, XLogP of 12.77, 31 rotatable bonds, 3 hydrogen bond donors, and 28 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-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 159000815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).