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

C26H24N6 — CID 134327621

IUPAC5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc6ncccc56)nc34)cc2)CC1
InChIInChI=1S/C26H24N6/c1-31-14-16-32(17-15-31)19-9-7-18(8-10-19)25-26-24(29-30-25)12-11-23(28-26)21-4-2-6-22-20(21)5-3-13-27-22/h2-13H,14-17H2,1H3,(H,29,30)
InChIKeyYRLYGEVDRCAPSE-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.59
Rot. Bonds3

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

5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline (PubChem CID 134327621) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline.

Molecular Properties

Compound Name5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline
PubChem CID134327621
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc6ncccc56)nc34)cc2)CC1
InChIInChI=1S/C26H24N6/c1-31-14-16-32(17-15-31)19-9-7-18(8-10-19)25-26-24(29-30-25)12-11-23(28-26)21-4-2-6-22-20(21)5-3-13-27-22/h2-13H,14-17H2,1H3,(H,29,30)
InChIKeyYRLYGEVDRCAPSE-UHFFFAOYSA-N
XLogP4.59
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline?
The IUPAC name of 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline (CID 134327621) is 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline.
What is the SMILES notation for 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline?
The canonical SMILES for 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc6ncccc56)nc34)cc2)CC1.
What is the InChIKey of 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline?
The InChIKey is YRLYGEVDRCAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c1-31-14-16-32(17-15-31)19-9-7-18(8-10-19)25-26-24(29-30-25)12-11-23(28-26)21-4-2-6-22-20(21)5-3-13-27-22/h2-13H,14-17H2,1H3,(H,29,30).
What are the key properties of 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline?
5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline has a molecular weight of 420.52 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]quinoline is sourced from PubChem (CID 134327621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).