3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol

C27H25N7O — CID 25232281

IUPAC3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol
SMILESCN1CCN(c2ccc(-c3cnnc4c(-c5cccc(O)c5)c(-c5ccncc5)nn34)cc2)CC1
InChIInChI=1S/C27H25N7O/c1-32-13-15-33(16-14-32)22-7-5-19(6-8-22)24-18-29-30-27-25(21-3-2-4-23(35)17-21)26(31-34(24)27)20-9-11-28-12-10-20/h2-12,17-18,35H,13-16H2,1H3
InChIKeyQSLSGZKTOSMADS-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.98
Rot. Bonds4

About 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol

3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol (PubChem CID 25232281) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol.

Molecular Properties

Compound Name3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol
PubChem CID25232281
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol
SMILESCN1CCN(c2ccc(-c3cnnc4c(-c5cccc(O)c5)c(-c5ccncc5)nn34)cc2)CC1
InChIInChI=1S/C27H25N7O/c1-32-13-15-33(16-14-32)22-7-5-19(6-8-22)24-18-29-30-27-25(21-3-2-4-23(35)17-21)26(31-34(24)27)20-9-11-28-12-10-20/h2-12,17-18,35H,13-16H2,1H3
InChIKeyQSLSGZKTOSMADS-UHFFFAOYSA-N
XLogP3.98
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol?
The IUPAC name of 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol (CID 25232281) is 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol.
What is the SMILES notation for 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol?
The canonical SMILES for 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol is CN1CCN(c2ccc(-c3cnnc4c(-c5cccc(O)c5)c(-c5ccncc5)nn34)cc2)CC1.
What is the InChIKey of 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol?
The InChIKey is QSLSGZKTOSMADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-32-13-15-33(16-14-32)22-7-5-19(6-8-22)24-18-29-30-27-25(21-3-2-4-23(35)17-21)26(31-34(24)27)20-9-11-28-12-10-20/h2-12,17-18,35H,13-16H2,1H3.
What are the key properties of 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol?
3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol has a molecular weight of 463.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazin-8-yl]phenol is sourced from PubChem (CID 25232281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).