4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide

C23H26N4O5S — CID 146308457

IUPAC4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide
SMILESCC(=O)N1CCC(COc2ccnc3[nH]cc(-c4ccc(C(=O)NS(C)(=O)=O)cc4)c23)CC1
InChIInChI=1S/C23H26N4O5S/c1-15(28)27-11-8-16(9-12-27)14-32-20-7-10-24-22-21(20)19(13-25-22)17-3-5-18(6-4-17)23(29)26-33(2,30)31/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyKNOQBABQBJBCGN-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.56
Rot. Bonds6

About 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide

4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide (PubChem CID 146308457) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide
PubChem CID146308457
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide
SMILESCC(=O)N1CCC(COc2ccnc3[nH]cc(-c4ccc(C(=O)NS(C)(=O)=O)cc4)c23)CC1
InChIInChI=1S/C23H26N4O5S/c1-15(28)27-11-8-16(9-12-27)14-32-20-7-10-24-22-21(20)19(13-25-22)17-3-5-18(6-4-17)23(29)26-33(2,30)31/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyKNOQBABQBJBCGN-UHFFFAOYSA-N
XLogP2.56
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide 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

N-[[4-[4-[(1-acetylazetidin-3-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]methanesulfonamide
CID 146333151
N-[[4-[4-[(1-butanoylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]methanesulfonamide
CID 153397460
N-[[4-[4-[(1-methylpyrrolidin-3-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]methanesulfonamide
CID 146333143
4-(piperidin-3-ylmethoxy)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine
CID 165156703
4-[4-(1-prop-2-enoylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 165179286
1-[4-[(6-chloro-2-methyl-3-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155790751
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 155801183
N-[[4-[7-[4-[[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxymethyl]-4-methylpiperidin-2-yl]-4-[[(3R)-1-methylpiperidin-3-yl]methoxy]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]phenyl]methyl]methanesulfonamide
CID 153397529
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
CID 146401486
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide (CID 146308457) is 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide is CC(=O)N1CCC(COc2ccnc3[nH]cc(-c4ccc(C(=O)NS(C)(=O)=O)cc4)c23)CC1.
What is the InChIKey of 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide?
The InChIKey is KNOQBABQBJBCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15(28)27-11-8-16(9-12-27)14-32-20-7-10-24-22-21(20)19(13-25-22)17-3-5-18(6-4-17)23(29)26-33(2,30)31/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,24,25)(H,26,29).
What are the key properties of 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide?
4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide has a molecular weight of 470.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-acetylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 146308457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).