4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C26H24N4OS — CID 25205316

IUPAC4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2cc3ccccc3s2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H24N4OS/c31-26-17-20(25-16-19-5-1-2-6-24(19)32-25)9-12-29(26)22-7-8-23-21(15-22)18-27-30(23)14-13-28-10-3-4-11-28/h1-2,5-9,12,15-18H,3-4,10-11,13-14H2
InChIKeyZONNCULPFMBFIR-UHFFFAOYSA-N
MW440.57 g/mol
LogP5.16
Rot. Bonds5

About 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25205316) has the molecular formula C26H24N4OS and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25205316
Molecular FormulaC26H24N4OS
Molecular Weight440.57 g/mol
Exact Mass440.17
IUPAC Name4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2cc3ccccc3s2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H24N4OS/c31-26-17-20(25-16-19-5-1-2-6-24(19)32-25)9-12-29(26)22-7-8-23-21(15-22)18-27-30(23)14-13-28-10-3-4-11-28/h1-2,5-9,12,15-18H,3-4,10-11,13-14H2
InChIKeyZONNCULPFMBFIR-UHFFFAOYSA-N
XLogP5.16
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-ortho-tolylpyridin-2(1H)-one
CID 25205493
ML300-based SC inhibitor 18
CID 156027217
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
4-[2-(4-Fluorophenyl)ethyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25055554
4-(2,4-Difluorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25205667
(E)-4-(4-Fluorostyryl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 59293396
4-[2-(4-Fluorophenyl)ethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 68456834
4-(6-Fluoro-1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25206786

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25205316) is 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(-c2cc3ccccc3s2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is ZONNCULPFMBFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4OS/c31-26-17-20(25-16-19-5-1-2-6-24(19)32-25)9-12-29(26)22-7-8-23-21(15-22)18-27-30(23)14-13-28-10-3-4-11-28/h1-2,5-9,12,15-18H,3-4,10-11,13-14H2.
What are the key properties of 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 440.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25205316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).