4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C29H29N5O2 — CID 90831550

IUPAC4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(Cc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)cc1
InChIInChI=1S/C29H29N5O2/c35-28(31-11-15-33-13-1-2-14-33)21-5-3-20(4-6-21)17-23-8-10-26(34-16-12-30-27(23)34)22-7-9-25-24(18-22)19-32-29(25)36/h3-10,12,16,18-19,32,36H,1-2,11,13-15,17H2,(H,31,35)
InChIKeyGISPEUZKQRRJRP-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.60
Rot. Bonds7

About 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 90831550) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID90831550
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(Cc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)cc1
InChIInChI=1S/C29H29N5O2/c35-28(31-11-15-33-13-1-2-14-33)21-5-3-20(4-6-21)17-23-8-10-26(34-16-12-30-27(23)34)22-7-9-25-24(18-22)19-32-29(25)36/h3-10,12,16,18-19,32,36H,1-2,11,13-15,17H2,(H,31,35)
InChIKeyGISPEUZKQRRJRP-UHFFFAOYSA-N
XLogP4.60
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 86813208
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 53078149
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 20908434
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(4-pyrrolidin-1-ylbutyl)benzamide
CID 39082778
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 118795910
4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 11590339

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 90831550) is 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1ccc(Cc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)cc1.
What is the InChIKey of 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is GISPEUZKQRRJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c35-28(31-11-15-33-13-1-2-14-33)21-5-3-20(4-6-21)17-23-8-10-26(34-16-12-30-27(23)34)22-7-9-25-24(18-22)19-32-29(25)36/h3-10,12,16,18-19,32,36H,1-2,11,13-15,17H2,(H,31,35).
What are the key properties of 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 479.58 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 90831550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).