5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C20H24N4O — CID 151255740

IUPAC5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]ccc3c2)c(C)c1N1CCN(C)CC1
InChIInChI=1S/C20H24N4O/c1-14-17(16-12-15-6-7-21-20(15)22-13-16)4-5-18(25-3)19(14)24-10-8-23(2)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)
InChIKeyNTHBTNHPNRDICT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.30
Rot. Bonds3

About 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine

5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 151255740) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID151255740
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]ccc3c2)c(C)c1N1CCN(C)CC1
InChIInChI=1S/C20H24N4O/c1-14-17(16-12-15-6-7-21-20(15)22-13-16)4-5-18(25-3)19(14)24-10-8-23(2)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)
InChIKeyNTHBTNHPNRDICT-UHFFFAOYSA-N
XLogP3.30
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopropanecarboxamide
CID 175464351
2-[4-(6-methoxy-2-methyl-3-phenylphenyl)piperazin-1-yl]pyrimidine
CID 67713794
5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 151650457
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
CID 175464314
2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464337
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidine
CID 56966668
(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
CID 66556102
ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 144694036
3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 70114360

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 151255740) is 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]ccc3c2)c(C)c1N1CCN(C)CC1.
What is the InChIKey of 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NTHBTNHPNRDICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-17(16-12-15-6-7-21-20(15)22-13-16)4-5-18(25-3)19(14)24-10-8-23(2)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 336.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 151255740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).