N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

C24H24N4O2S — CID 134170294

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2c(SCC(=O)N[C@@H](CO)c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C24H24N4O2S/c1-17-9-11-18(12-10-17)14-28-23-20(8-5-13-25-23)27-24(28)31-16-22(30)26-21(15-29)19-6-3-2-4-7-19/h2-13,21,29H,14-16H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeyCNGDUUYYNVODQC-NRFANRHFSA-N
MW432.55 g/mol
LogP3.73
Rot. Bonds8

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (PubChem CID 134170294) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
PubChem CID134170294
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2c(SCC(=O)N[C@@H](CO)c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C24H24N4O2S/c1-17-9-11-18(12-10-17)14-28-23-20(8-5-13-25-23)27-24(28)31-16-22(30)26-21(15-29)19-6-3-2-4-7-19/h2-13,21,29H,14-16H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeyCNGDUUYYNVODQC-NRFANRHFSA-N
XLogP3.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 3214175
3-[[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 21157003
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141
4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide
CID 20908340
2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 2609124
2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 174238361
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908295
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 3214161
3-[(3-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908577
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7856734
2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
CID 134170281
ethyl N-[2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 7265094

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (CID 134170294) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is Cc1ccc(Cn2c(SCC(=O)N[C@@H](CO)c3ccccc3)nc3cccnc32)cc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The InChIKey is CNGDUUYYNVODQC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-17-9-11-18(12-10-17)14-28-23-20(8-5-13-25-23)27-24(28)31-16-22(30)26-21(15-29)19-6-3-2-4-7-19/h2-13,21,29H,14-16H2,1H3,(H,26,30)/t21-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide has a molecular weight of 432.55 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 134170294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).