4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide

C24H31N5O3 — CID 124957895

IUPAC4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide
SMILESCN(C)CCOc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc4nccn34)C2)cc1
InChIInChI=1S/C24H31N5O3/c1-26(2)15-16-32-20-9-7-19(8-10-20)23(30)27(3)17-24(31)11-13-28(18-24)22-6-4-5-21-25-12-14-29(21)22/h4-10,12,14,31H,11,13,15-18H2,1-3H3/t24-/m1/s1
InChIKeyGCFFXPUDVOTGGO-XMMPIXPASA-N
MW437.54 g/mol
LogP1.99
Rot. Bonds8

About 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide

4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide (PubChem CID 124957895) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide
PubChem CID124957895
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide
SMILESCN(C)CCOc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc4nccn34)C2)cc1
InChIInChI=1S/C24H31N5O3/c1-26(2)15-16-32-20-9-7-19(8-10-20)23(30)27(3)17-24(31)11-13-28(18-24)22-6-4-5-21-25-12-14-29(21)22/h4-10,12,14,31H,11,13,15-18H2,1-3H3/t24-/m1/s1
InChIKeyGCFFXPUDVOTGGO-XMMPIXPASA-N
XLogP1.99
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide (CID 124957895) is 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide is CN(C)CCOc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc4nccn34)C2)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is GCFFXPUDVOTGGO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N5O3/c1-26(2)15-16-32-20-9-7-19(8-10-20)23(30)27(3)17-24(31)11-13-28(18-24)22-6-4-5-21-25-12-14-29(21)22/h4-10,12,14,31H,11,13,15-18H2,1-3H3/t24-/m1/s1.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide?
4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 437.54 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 124957895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).