N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

C23H28ClN5O2 — CID 54586061

IUPACN-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C23H28ClN5O2/c1-17(30)25-8-9-29-16-18(21-6-7-22(31-2)26-23(21)29)15-27-10-12-28(13-11-27)20-5-3-4-19(24)14-20/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,30)
InChIKeyYZKFXOIWOSSUEC-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.16
Rot. Bonds7

About N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide

N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 54586061) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
PubChem CID54586061
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC NameN-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1
InChIInChI=1S/C23H28ClN5O2/c1-17(30)25-8-9-29-16-18(21-6-7-22(31-2)26-23(21)29)15-27-10-12-28(13-11-27)20-5-3-4-19(24)14-20/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,30)
InChIKeyYZKFXOIWOSSUEC-UHFFFAOYSA-N
XLogP3.16
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide (CID 54586061) is N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is COc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1.
What is the InChIKey of N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
The InChIKey is YZKFXOIWOSSUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c1-17(30)25-8-9-29-16-18(21-6-7-22(31-2)26-23(21)29)15-27-10-12-28(13-11-27)20-5-3-4-19(24)14-20/h3-7,14,16H,8-13,15H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide?
N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 441.96 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 54586061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).