5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine

C19H22N4 — CID 147294549

IUPAC5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine
SMILESCC1=NCc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc21
InChIInChI=1S/C19H22N4/c1-14-18-11-16(12-21-19(18)13-20-14)15-3-5-17(6-4-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyCUVVLJKIIXBHDA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.82
Rot. Bonds2

About 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine

5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine (PubChem CID 147294549) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine
PubChem CID147294549
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine
SMILESCC1=NCc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc21
InChIInChI=1S/C19H22N4/c1-14-18-11-16(12-21-19(18)13-20-14)15-3-5-17(6-4-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyCUVVLJKIIXBHDA-UHFFFAOYSA-N
XLogP2.82
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]isoindole-1,3-dione
CID 166093249
3-iodo-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138754280
N,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzenesulfonamide
CID 146274727
3-bromo-2-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 146272522
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
3,5-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
CID 175584716
N,N-dimethyl-2-[[5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]oxy]ethanamine
CID 146274717
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
CID 171512494
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
N,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 146274386
7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 162691626

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine (CID 147294549) is 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine is CC1=NCc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc21.
What is the InChIKey of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine?
The InChIKey is CUVVLJKIIXBHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-18-11-16(12-21-19(18)13-20-14)15-3-5-17(6-4-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine?
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 147294549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).