N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

C29H30N6O2 — CID 24990032

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C29H30N6O2/c1-2-34-14-3-4-23(34)18-32-28(36)19-5-8-22(9-6-19)33-25-11-12-26(35-15-13-30-27(25)35)20-7-10-24-21(16-20)17-31-29(24)37/h5-13,15-16,23,33H,2-4,14,17-18H2,1H3,(H,31,37)(H,32,36)/t23-/m0/s1
InChIKeyBXXVNBQSGXUCEO-QHCPKHFHSA-N
MW494.60 g/mol
LogP4.20
Rot. Bonds7

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide (PubChem CID 24990032) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
PubChem CID24990032
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C29H30N6O2/c1-2-34-14-3-4-23(34)18-32-28(36)19-5-8-22(9-6-19)33-25-11-12-26(35-15-13-30-27(25)35)20-7-10-24-21(16-20)17-31-29(24)37/h5-13,15-16,23,33H,2-4,14,17-18H2,1H3,(H,31,37)(H,32,36)/t23-/m0/s1
InChIKeyBXXVNBQSGXUCEO-QHCPKHFHSA-N
XLogP4.20
TPSA90.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]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

4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 24988892
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 67120782
4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-[4-(4-cyclopropylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 159943943
N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[(3-pyrrol-1-ylphenyl)methyl]benzamide;5-[8-[4-(2-pyrrolidin-3-ylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158991214
5-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 58046201
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
CID 126426041
5-(2-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;5-[8-[4-(1,3-oxazol-5-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(4-oxopentyl)benzamide;4-[8-[4-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 160534978

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide (CID 24990032) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide is CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
The InChIKey is BXXVNBQSGXUCEO-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-2-34-14-3-4-23(34)18-32-28(36)19-5-8-22(9-6-19)33-25-11-12-26(35-15-13-30-27(25)35)20-7-10-24-21(16-20)17-31-29(24)37/h5-13,15-16,23,33H,2-4,14,17-18H2,1H3,(H,31,37)(H,32,36)/t23-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide has a molecular weight of 494.60 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide is sourced from PubChem (CID 24990032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).