3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine

C21H26N4O4S — CID 97429271

IUPAC3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOCCn1c(C[C@@H]2CCN(S(=O)(=O)c3ccc(OC)cc3)C2)nc2cccnc21
InChIInChI=1S/C21H26N4O4S/c1-28-13-12-25-20(23-19-4-3-10-22-21(19)25)14-16-9-11-24(15-16)30(26,27)18-7-5-17(29-2)6-8-18/h3-8,10,16H,9,11-15H2,1-2H3/t16-/m0/s1
InChIKeyWTICIFPOVBKBCB-INIZCTEOSA-N
MW430.53 g/mol
LogP2.34
Rot. Bonds8

About 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine

3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 97429271) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID97429271
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOCCn1c(C[C@@H]2CCN(S(=O)(=O)c3ccc(OC)cc3)C2)nc2cccnc21
InChIInChI=1S/C21H26N4O4S/c1-28-13-12-25-20(23-19-4-3-10-22-21(19)25)14-16-9-11-24(15-16)30(26,27)18-7-5-17(29-2)6-8-18/h3-8,10,16H,9,11-15H2,1-2H3/t16-/m0/s1
InChIKeyWTICIFPOVBKBCB-INIZCTEOSA-N
XLogP2.34
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
1-[(3R)-3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97429258
2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 97429232
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 71835934
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine (CID 97429271) is 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine is COCCn1c(C[C@@H]2CCN(S(=O)(=O)c3ccc(OC)cc3)C2)nc2cccnc21.
What is the InChIKey of 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is WTICIFPOVBKBCB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-28-13-12-25-20(23-19-4-3-10-22-21(19)25)14-16-9-11-24(15-16)30(26,27)18-7-5-17(29-2)6-8-18/h3-8,10,16H,9,11-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine?
3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 430.53 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 97429271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).