N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide

C26H33N5O3 — CID 124987982

IUPACN-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCN(C[C@@]1(O)CCN(c2cccc3nccn23)C1)C(=O)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C26H33N5O3/c1-28(25(32)21-6-4-7-22(18-21)34-17-16-29-12-2-3-13-29)19-26(33)10-14-30(20-26)24-9-5-8-23-27-11-15-31(23)24/h4-9,11,15,18,33H,2-3,10,12-14,16-17,19-20H2,1H3/t26-/m0/s1
InChIKeyOJYDFWDQRMXVEF-SANMLTNESA-N
MW463.58 g/mol
LogP2.52
Rot. Bonds8

About N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide

N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 124987982) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID124987982
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCN(C[C@@]1(O)CCN(c2cccc3nccn23)C1)C(=O)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C26H33N5O3/c1-28(25(32)21-6-4-7-22(18-21)34-17-16-29-12-2-3-13-29)19-26(33)10-14-30(20-26)24-9-5-8-23-27-11-15-31(23)24/h4-9,11,15,18,33H,2-3,10,12-14,16-17,19-20H2,1H3/t26-/m0/s1
InChIKeyOJYDFWDQRMXVEF-SANMLTNESA-N
XLogP2.52
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 124957895
5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 110154285
3-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 125014770
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110158915
N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-3-[2-(methylamino)ethoxy]benzamide
CID 110155269
3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 132779791
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 110153924
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110159152
3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 136550595
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-phenoxypropanamide
CID 110123966
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-1-(2-methoxyethyl)-N-methylbenzimidazole-5-carboxamide
CID 155989907

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide (CID 124987982) is N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide is CN(C[C@@]1(O)CCN(c2cccc3nccn23)C1)C(=O)c1cccc(OCCN2CCCC2)c1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is OJYDFWDQRMXVEF-SANMLTNESA-N. The full InChI is InChI=1S/C26H33N5O3/c1-28(25(32)21-6-4-7-22(18-21)34-17-16-29-12-2-3-13-29)19-26(33)10-14-30(20-26)24-9-5-8-23-27-11-15-31(23)24/h4-9,11,15,18,33H,2-3,10,12-14,16-17,19-20H2,1H3/t26-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide?
N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 463.58 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 124987982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).