2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone

C26H25N5O4 — CID 163943314

IUPAC2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
SMILESCOc1cnc(-c2cccnc2)c2[nH]cc(C(=O)C(O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H25N5O4/c1-35-20-16-29-22(18-8-5-9-27-14-18)23-21(20)19(15-28-23)24(32)26(34)31-12-10-30(11-13-31)25(33)17-6-3-2-4-7-17/h2-9,14-16,26,28,34H,10-13H2,1H3
InChIKeyRSXZBAPAVDRRKO-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.59
Rot. Bonds6

About 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone

2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone (PubChem CID 163943314) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
PubChem CID163943314
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
SMILESCOc1cnc(-c2cccnc2)c2[nH]cc(C(=O)C(O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H25N5O4/c1-35-20-16-29-22(18-8-5-9-27-14-18)23-21(20)19(15-28-23)24(32)26(34)31-12-10-30(11-13-31)25(33)17-6-3-2-4-7-17/h2-9,14-16,26,28,34H,10-13H2,1H3
InChIKeyRSXZBAPAVDRRKO-UHFFFAOYSA-N
XLogP2.59
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-1-[7-(2-ethyl-1,3-thiazol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-hydroxyethanone
CID 154536327
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyridazin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 6321193
2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-1-[4-methoxy-7-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]prop-2-en-1-one
CID 142861252
1-(4-benzoylpiperazin-1-yl)-2-(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethane-1,2-dione
CID 59729291
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 68901084
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958756
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-methyl-5-oxopyrazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958728
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-methoxy-4-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 58270141
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2H-1,3-thiazol-2-id-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;carbanide;molecular hydrogen;yttrium
CID 164540519
1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)(1,2-14C2)ethane-1,2-dione
CID 53388165
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-N'-hydroxy-4-methoxy-1H-pyrrolo[2,3-c]pyridine-7-carboximidamide
CID 136626172
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 67478564

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone (CID 163943314) is 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone is COc1cnc(-c2cccnc2)c2[nH]cc(C(=O)C(O)N3CCN(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone?
The InChIKey is RSXZBAPAVDRRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-35-20-16-29-22(18-8-5-9-27-14-18)23-21(20)19(15-28-23)24(32)26(34)31-12-10-30(11-13-31)25(33)17-6-3-2-4-7-17/h2-9,14-16,26,28,34H,10-13H2,1H3.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone?
2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone has a molecular weight of 471.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-2-hydroxy-1-(4-methoxy-7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone is sourced from PubChem (CID 163943314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).