2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine

C21H24F2N4O2S — CID 97429232

IUPAC2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cn1c(C[C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H24F2N4O2S/c1-14(2)12-27-20(25-19-4-3-6-24-21(19)27)8-15-5-7-26(13-15)30(28,29)18-10-16(22)9-17(23)11-18/h3-4,6,9-11,14-15H,5,7-8,12-13H2,1-2H3/t15-/m1/s1
InChIKeyUISQVLPURLILMC-OAHLLOKOSA-N
MW434.51 g/mol
LogP3.62
Rot. Bonds6

About 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine

2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine (PubChem CID 97429232) has the molecular formula C21H24F2N4O2S and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
PubChem CID97429232
Molecular FormulaC21H24F2N4O2S
Molecular Weight434.51 g/mol
Exact Mass434.16
IUPAC Name2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cn1c(C[C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H24F2N4O2S/c1-14(2)12-27-20(25-19-4-3-6-24-21(19)27)8-15-5-7-26(13-15)30(28,29)18-10-16(22)9-17(23)11-18/h3-4,6,9-11,14-15H,5,7-8,12-13H2,1-2H3/t15-/m1/s1
InChIKeyUISQVLPURLILMC-OAHLLOKOSA-N
XLogP3.62
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 97429271
N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 83272706
3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 83272666
[(3R)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95112513
N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 53194571
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95112504
2-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191312

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine (CID 97429232) is 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine is CC(C)Cn1c(C[C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21.
What is the InChIKey of 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is UISQVLPURLILMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24F2N4O2S/c1-14(2)12-27-20(25-19-4-3-6-24-21(19)27)8-15-5-7-26(13-15)30(28,29)18-10-16(22)9-17(23)11-18/h3-4,6,9-11,14-15H,5,7-8,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine?
2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 434.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 97429232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).