1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine

C24H24N8 — CID 134327579

IUPAC1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cnc6cnn(C)c6c5)nc34)cc2)CC1
InChIInChI=1S/C24H24N8/c1-30-9-11-32(12-10-30)18-5-3-16(4-6-18)23-24-20(28-29-23)8-7-19(27-24)17-13-22-21(25-14-17)15-26-31(22)2/h3-8,13-15H,9-12H2,1-2H3,(H,28,29)
InChIKeyJLIKHSXLVYZJJB-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.33
Rot. Bonds3

About 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine

1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine (PubChem CID 134327579) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine
PubChem CID134327579
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cnc6cnn(C)c6c5)nc34)cc2)CC1
InChIInChI=1S/C24H24N8/c1-30-9-11-32(12-10-30)18-5-3-16(4-6-18)23-24-20(28-29-23)8-7-19(27-24)17-13-22-21(25-14-17)15-26-31(22)2/h3-8,13-15H,9-12H2,1-2H3,(H,28,29)
InChIKeyJLIKHSXLVYZJJB-UHFFFAOYSA-N
XLogP3.33
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine (CID 134327579) is 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cnc6cnn(C)c6c5)nc34)cc2)CC1.
What is the InChIKey of 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine?
The InChIKey is JLIKHSXLVYZJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-30-9-11-32(12-10-30)18-5-3-16(4-6-18)23-24-20(28-29-23)8-7-19(27-24)17-13-22-21(25-14-17)15-26-31(22)2/h3-8,13-15H,9-12H2,1-2H3,(H,28,29).
What are the key properties of 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine?
1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine has a molecular weight of 424.51 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 134327579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).