[3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone

C28H27FN6O2 — CID 91542457

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(O)[nH]cc5c4)n4ccnc34)cc2F)C1
InChIInChI=1S/C28H27FN6O2/c1-33(2)20-9-11-34(16-20)28(37)22-6-4-19(14-23(22)29)32-24-7-8-25(35-12-10-30-26(24)35)17-3-5-21-18(13-17)15-31-27(21)36/h3-8,10,12-15,20,31-32,36H,9,11,16H2,1-2H3
InChIKeyHHIWHJMOPWNEOE-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.85
Rot. Bonds5

About [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone (PubChem CID 91542457) has the molecular formula C28H27FN6O2 and a molecular weight of 498.56 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone
PubChem CID91542457
Molecular FormulaC28H27FN6O2
Molecular Weight498.56 g/mol
Exact Mass498.22
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(O)[nH]cc5c4)n4ccnc34)cc2F)C1
InChIInChI=1S/C28H27FN6O2/c1-33(2)20-9-11-34(16-20)28(37)22-6-4-19(14-23(22)29)32-24-7-8-25(35-12-10-30-26(24)35)17-3-5-21-18(13-17)15-31-27(21)36/h3-8,10,12-15,20,31-32,36H,9,11,16H2,1-2H3
InChIKeyHHIWHJMOPWNEOE-UHFFFAOYSA-N
XLogP4.85
TPSA88.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone (CID 91542457) is [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone is CN(C)C1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(O)[nH]cc5c4)n4ccnc34)cc2F)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone?
The InChIKey is HHIWHJMOPWNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O2/c1-33(2)20-9-11-34(16-20)28(37)22-6-4-19(14-23(22)29)32-24-7-8-25(35-12-10-30-26(24)35)17-3-5-21-18(13-17)15-31-27(21)36/h3-8,10,12-15,20,31-32,36H,9,11,16H2,1-2H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone has a molecular weight of 498.56 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]methanone is sourced from PubChem (CID 91542457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).