3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

C25H28N4O4S — CID 20867618

IUPAC3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2nc3cccnc3n2Cc2cccs2)c(OC)c1OC
InChIInChI=1S/C25H28N4O4S/c1-31-20-9-8-17(23(32-2)24(20)33-3)12-14-26-22(30)11-10-21-28-19-7-4-13-27-25(19)29(21)16-18-6-5-15-34-18/h4-9,13,15H,10-12,14,16H2,1-3H3,(H,26,30)
InChIKeyIHSJINNHIHPIHJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.86
Rot. Bonds11

About 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide (PubChem CID 20867618) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
PubChem CID20867618
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2nc3cccnc3n2Cc2cccs2)c(OC)c1OC
InChIInChI=1S/C25H28N4O4S/c1-31-20-9-8-17(23(32-2)24(20)33-3)12-14-26-22(30)11-10-21-28-19-7-4-13-27-25(19)29(21)16-18-6-5-15-34-18/h4-9,13,15H,10-12,14,16H2,1-3H3,(H,26,30)
InChIKeyIHSJINNHIHPIHJ-UHFFFAOYSA-N
XLogP3.86
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867634
N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867614
N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867637
ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate
CID 20867609
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46331417
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide
CID 53189895
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
2-methoxy-N-[2-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]benzamide
CID 50843507
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
N-[(3-methoxyphenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 46256846

Frequently Asked Questions

What is the IUPAC name of 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide (CID 20867618) is 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCc2nc3cccnc3n2Cc2cccs2)c(OC)c1OC.
What is the InChIKey of 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The InChIKey is IHSJINNHIHPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-31-20-9-8-17(23(32-2)24(20)33-3)12-14-26-22(30)11-10-21-28-19-7-4-13-27-25(19)29(21)16-18-6-5-15-34-18/h4-9,13,15H,10-12,14,16H2,1-3H3,(H,26,30).
What are the key properties of 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide has a molecular weight of 480.59 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 20867618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).