1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine

C17H20N6 — CID 70741038

IUPAC1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3ccnc4c3ccn4C)nn2)CC1
InChIInChI=1S/C17H20N6/c1-21-9-11-23(12-10-21)16-4-3-15(19-20-16)13-5-7-18-17-14(13)6-8-22(17)2/h3-8H,9-12H2,1-2H3
InChIKeyMHJLLENTZMLBTR-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.78
Rot. Bonds2

About 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine

1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine (PubChem CID 70741038) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine
PubChem CID70741038
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3ccnc4c3ccn4C)nn2)CC1
InChIInChI=1S/C17H20N6/c1-21-9-11-23(12-10-21)16-4-3-15(19-20-16)13-5-7-18-17-14(13)6-8-22(17)2/h3-8H,9-12H2,1-2H3
InChIKeyMHJLLENTZMLBTR-UHFFFAOYSA-N
XLogP1.78
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 70750041
N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridazin-3-amine
CID 70728744
6-(4-methylpiperazin-1-yl)pyridazin-3-amine;hydrochloride
CID 127262604
N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
CID 70721184
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine
CID 74237145
1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 70718302
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
CID 56907537
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine (CID 70741038) is 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine is CN1CCN(c2ccc(-c3ccnc4c3ccn4C)nn2)CC1.
What is the InChIKey of 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is MHJLLENTZMLBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-21-9-11-23(12-10-21)16-4-3-15(19-20-16)13-5-7-18-17-14(13)6-8-22(17)2/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine?
1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 308.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70741038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).