[4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone

C30H31N5O2 — CID 91418252

IUPAC[4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(Nc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)ccc1C(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C30H31N5O2/c1-18(2)21-10-12-34(17-21)30(37)24-7-5-23(14-19(24)3)33-26-8-9-27(35-13-11-31-28(26)35)20-4-6-25-22(15-20)16-32-29(25)36/h4-9,11,13-16,18,21,32-33,36H,10,12,17H2,1-3H3
InChIKeyWDKXXUXSZSGXEP-UHFFFAOYSA-N
MW493.61 g/mol
LogP6.36
Rot. Bonds5

About [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone

[4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 91418252) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID91418252
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name[4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(Nc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)ccc1C(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C30H31N5O2/c1-18(2)21-10-12-34(17-21)30(37)24-7-5-23(14-19(24)3)33-26-8-9-27(35-13-11-31-28(26)35)20-4-6-25-22(15-20)16-32-29(25)36/h4-9,11,13-16,18,21,32-33,36H,10,12,17H2,1-3H3
InChIKeyWDKXXUXSZSGXEP-UHFFFAOYSA-N
XLogP6.36
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 91001798
5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2H-isoindol-1-ol
CID 123432633
N-[[4-(dimethylamino)phenyl]methyl]-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide
CID 91014727
5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
CID 67120783
[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(methylamino)piperidin-1-yl]methanone
CID 150787408
[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone
CID 154943479
[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 154943656
4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 90831550
N-ethyl-1-[4-[(3-iodoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylbenzoyl]piperidine-4-carboxamide
CID 175144770
[(2R)-azetidin-2-yl]-[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]methanone
CID 154943693
ethane;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
CID 143681962
[1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 166593358

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 91418252) is [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone is Cc1cc(Nc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)ccc1C(=O)N1CCC(C(C)C)C1.
What is the InChIKey of [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is WDKXXUXSZSGXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-18(2)21-10-12-34(17-21)30(37)24-7-5-23(14-19(24)3)33-26-8-9-27(35-13-11-31-28(26)35)20-4-6-25-22(15-20)16-32-29(25)36/h4-9,11,13-16,18,21,32-33,36H,10,12,17H2,1-3H3.
What are the key properties of [4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
[4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 493.61 g/mol, XLogP of 6.36, 5 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]amino]-2-methylphenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 91418252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).