4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C23H24N6 — CID 68932219

IUPAC4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2cc(-c3cncc(N4CCN(C)CC4)c3)c3cc[nH]c3n2)n1
InChIInChI=1S/C23H24N6/c1-16-4-3-5-21(26-16)22-13-20(19-6-7-25-23(19)27-22)17-12-18(15-24-14-17)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,25,27)
InChIKeyHNJGNDZXBJZQGN-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.75
Rot. Bonds3

About 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 68932219) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID68932219
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(-c2cc(-c3cncc(N4CCN(C)CC4)c3)c3cc[nH]c3n2)n1
InChIInChI=1S/C23H24N6/c1-16-4-3-5-21(26-16)22-13-20(19-6-7-25-23(19)27-22)17-12-18(15-24-14-17)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,25,27)
InChIKeyHNJGNDZXBJZQGN-UHFFFAOYSA-N
XLogP3.75
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 68932219) is 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is Cc1cccc(-c2cc(-c3cncc(N4CCN(C)CC4)c3)c3cc[nH]c3n2)n1.
What is the InChIKey of 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HNJGNDZXBJZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-16-4-3-5-21(26-16)22-13-20(19-6-7-25-23(19)27-22)17-12-18(15-24-14-17)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,25,27).
What are the key properties of 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 384.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68932219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).