[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C26H28N8O2 — CID 134326866

IUPAC[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5cncc(C(=O)N6CCOCC6)c5)nc34)cc2)CC1
InChIInChI=1S/C26H28N8O2/c1-32-6-8-33(9-7-32)21-4-2-18(3-5-21)23-24-22(30-31-23)17-28-25(29-24)19-14-20(16-27-15-19)26(35)34-10-12-36-13-11-34/h2-5,14-17H,6-13H2,1H3,(H,30,31)
InChIKeyAQMLIFFRSMXOCA-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.31
Rot. Bonds4

About [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 134326866) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID134326866
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5cncc(C(=O)N6CCOCC6)c5)nc34)cc2)CC1
InChIInChI=1S/C26H28N8O2/c1-32-6-8-33(9-7-32)21-4-2-18(3-5-21)23-24-22(30-31-23)17-28-25(29-24)19-14-20(16-27-15-19)26(35)34-10-12-36-13-11-34/h2-5,14-17H,6-13H2,1H3,(H,30,31)
InChIKeyAQMLIFFRSMXOCA-UHFFFAOYSA-N
XLogP2.31
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 134326866) is [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is CN1CCN(c2ccc(-c3n[nH]c4cnc(-c5cncc(C(=O)N6CCOCC6)c5)nc34)cc2)CC1.
What is the InChIKey of [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is AQMLIFFRSMXOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-32-6-8-33(9-7-32)21-4-2-18(3-5-21)23-24-22(30-31-23)17-28-25(29-24)19-14-20(16-27-15-19)26(35)34-10-12-36-13-11-34/h2-5,14-17H,6-13H2,1H3,(H,30,31).
What are the key properties of [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 484.56 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134326866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).