6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine

C23H24N6O — CID 162656874

IUPAC6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCOc1ccncc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C23H24N6O/c1-27-9-11-28(12-10-27)18-3-5-19(6-4-18)29-22-13-21(25-14-17(22)15-26-29)20-16-24-8-7-23(20)30-2/h3-8,13-16H,9-12H2,1-2H3
InChIKeyGQDUXTVFGFQAAL-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.24
Rot. Bonds4

About 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine

6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (PubChem CID 162656874) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
PubChem CID162656874
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCOc1ccncc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C23H24N6O/c1-27-9-11-28(12-10-27)18-3-5-19(6-4-18)29-22-13-21(25-14-17(22)15-26-29)20-16-24-8-7-23(20)30-2/h3-8,13-16H,9-12H2,1-2H3
InChIKeyGQDUXTVFGFQAAL-UHFFFAOYSA-N
XLogP3.24
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (CID 162656874) is 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is COc1ccncc1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The InChIKey is GQDUXTVFGFQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-27-9-11-28(12-10-27)18-3-5-19(6-4-18)29-22-13-21(25-14-17(22)15-26-29)20-16-24-8-7-23(20)30-2/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine has a molecular weight of 400.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-pyridinyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162656874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).