(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone

C22H26N4O2 — CID 53145405

IUPAC(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCc2cn(C)c3ncccc23)CC1
InChIInChI=1S/C22H26N4O2/c1-24-16-17(18-7-5-10-23-21(18)24)9-11-25-12-14-26(15-13-25)22(27)19-6-3-4-8-20(19)28-2/h3-8,10,16H,9,11-15H2,1-2H3
InChIKeyREIWJVZIHPYBJF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.58
Rot. Bonds5

About (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 53145405) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
PubChem CID53145405
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCc2cn(C)c3ncccc23)CC1
InChIInChI=1S/C22H26N4O2/c1-24-16-17(18-7-5-10-23-21(18)24)9-11-25-12-14-26(15-13-25)22(27)19-6-3-4-8-20(19)28-2/h3-8,10,16H,9,11-15H2,1-2H3
InChIKeyREIWJVZIHPYBJF-UHFFFAOYSA-N
XLogP2.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145412
(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145438
[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53145585
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 95853360
3-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-methylpyrrolo[2,3-b]pyridine
CID 53145459
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-methylpyrrolo[2,3-b]pyridine
CID 53145476
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone (CID 53145405) is (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(CCc2cn(C)c3ncccc23)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is REIWJVZIHPYBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-16-17(18-7-5-10-23-21(18)24)9-11-25-12-14-26(15-13-25)22(27)19-6-3-4-8-20(19)28-2/h3-8,10,16H,9,11-15H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53145405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).