5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C26H25N5O3S — CID 58046131

IUPAC5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)CC5CCNC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C26H25N5O3S/c32-26-22-6-1-18(13-19(22)15-29-26)24-8-7-23(25-28-11-12-31(24)25)30-20-2-4-21(5-3-20)35(33,34)16-17-9-10-27-14-17/h1-8,11-13,17,27,30H,9-10,14-16H2,(H,29,32)
InChIKeyYOACIOGLPOWCTA-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.37
Rot. Bonds6

About 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 58046131) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID58046131
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC Name5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)CC5CCNC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C26H25N5O3S/c32-26-22-6-1-18(13-19(22)15-29-26)24-8-7-23(25-28-11-12-31(24)25)30-20-2-4-21(5-3-20)35(33,34)16-17-9-10-27-14-17/h1-8,11-13,17,27,30H,9-10,14-16H2,(H,29,32)
InChIKeyYOACIOGLPOWCTA-UHFFFAOYSA-N
XLogP3.37
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one 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-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
4-[1-[2,4-dimethyl-5-(6-methylsulfonyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 68289184
(RS) N-cyclopropyl-4-{6-[4-(cyclopropylsulfinyl)phenyl]-8-(isobutylamino)imidazo[1,2-a]pyrazin-3-yl}benzamide
CID 67973689
US10513523, Example 47
CID 122656008
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 1442508
4-[(2-{[(4-Methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-N-[2-(thiophen-2-YL)ethyl]benzamide
CID 16020888
4-{[2-(Benzylsulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-N-(2-phenylpropyl)benzamide
CID 16021145
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-(methylsulfonyl)pyridin-2-yl)benzamide
CID 45268465
N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide
CID 46944084
N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 90670284
N-[2-(dimethylamino)ethyl]-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 90670287
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 164616749

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 58046131) is 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3ccc(Nc4ccc(S(=O)(=O)CC5CCNC5)cc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is YOACIOGLPOWCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c32-26-22-6-1-18(13-19(22)15-29-26)24-8-7-23(25-28-11-12-31(24)25)30-20-2-4-21(5-3-20)35(33,34)16-17-9-10-27-14-17/h1-8,11-13,17,27,30H,9-10,14-16H2,(H,29,32).
What are the key properties of 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 487.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-(pyrrolidin-3-ylmethylsulfonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 58046131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).