2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine

C23H28N4O2S — CID 91913832

IUPAC2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1ccccc1S(=O)(=O)N1CCCC(Cn2c(C3CC3)nc3cccnc32)C1
InChIInChI=1S/C23H28N4O2S/c1-2-18-8-3-4-10-21(18)30(28,29)26-14-6-7-17(15-26)16-27-22(19-11-12-19)25-20-9-5-13-24-23(20)27/h3-5,8-10,13,17,19H,2,6-7,11-12,14-16H2,1H3
InChIKeyGXMDTRASGKDNQR-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.97
Rot. Bonds6

About 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine

2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 91913832) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID91913832
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1ccccc1S(=O)(=O)N1CCCC(Cn2c(C3CC3)nc3cccnc32)C1
InChIInChI=1S/C23H28N4O2S/c1-2-18-8-3-4-10-21(18)30(28,29)26-14-6-7-17(15-26)16-27-22(19-11-12-19)25-20-9-5-13-24-23(20)27/h3-5,8-10,13,17,19H,2,6-7,11-12,14-16H2,1H3
InChIKeyGXMDTRASGKDNQR-UHFFFAOYSA-N
XLogP3.97
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913824
3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230
4-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 95110352
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
4-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 97416558
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine (CID 91913832) is 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine is CCc1ccccc1S(=O)(=O)N1CCCC(Cn2c(C3CC3)nc3cccnc32)C1.
What is the InChIKey of 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is GXMDTRASGKDNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-2-18-8-3-4-10-21(18)30(28,29)26-14-6-7-17(15-26)16-27-22(19-11-12-19)25-20-9-5-13-24-23(20)27/h3-5,8-10,13,17,19H,2,6-7,11-12,14-16H2,1H3.
What are the key properties of 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine?
2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 424.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[[1-(2-ethylphenyl)sulfonylpiperidin-3-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 91913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).