1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine

C23H23N5 — CID 162669898

IUPAC1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine
SMILESCN1CCN(c2ccc(-n3ncc4cnc(-c5ccccc5)cc43)cc2)CC1
InChIInChI=1S/C23H23N5/c1-26-11-13-27(14-12-26)20-7-9-21(10-8-20)28-23-15-22(18-5-3-2-4-6-18)24-16-19(23)17-25-28/h2-10,15-17H,11-14H2,1H3
InChIKeyTUXNIHLICMWFSI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.84
Rot. Bonds3

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

1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine (PubChem CID 162669898) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine
PubChem CID162669898
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine
SMILESCN1CCN(c2ccc(-n3ncc4cnc(-c5ccccc5)cc43)cc2)CC1
InChIInChI=1S/C23H23N5/c1-26-11-13-27(14-12-26)20-7-9-21(10-8-20)28-23-15-22(18-5-3-2-4-6-18)24-16-19(23)17-25-28/h2-10,15-17H,11-14H2,1H3
InChIKeyTUXNIHLICMWFSI-UHFFFAOYSA-N
XLogP3.84
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine (CID 162669898) is 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine is CN1CCN(c2ccc(-n3ncc4cnc(-c5ccccc5)cc43)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine?
The InChIKey is TUXNIHLICMWFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-26-11-13-27(14-12-26)20-7-9-21(10-8-20)28-23-15-22(18-5-3-2-4-6-18)24-16-19(23)17-25-28/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine?
1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine has a molecular weight of 369.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162669898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).