N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane

C30H36N6O2 — CID 144728091

About N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane

N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane (PubChem CID 144728091) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane.

Molecular Properties

• Compound Name: N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane
• PubChem CID: 144728091
• Molecular Formula: C30H36N6O2
• Molecular Weight: 512.66 g/mol
• Exact Mass: 512.29
• IUPAC Name: N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane
• SMILES: C/C=C\c1c(NC=O)cccc1-c1cnn2cc(-c3ccc(N4C(C)CNCC4C)cc3)cnc12.COC
• InChI: InChI=1S/C28H30N6O.C2H6O/c1-4-6-25-24(7-5-8-27(25)31-18-35)26-16-32-33-17-22(15-30-28(26)33)21-9-11-23(12-10-21)34-19(2)13-29-14-20(34)3;1-3-2/h4-12,15-20,29H,13-14H2,1-3H3,(H,31,35);1-2H3/b6-4-
• InChIKey: KWHIPXMMYAQJBM-YHSAGPEESA-N
• XLogP: 5.11
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.66
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane?

The IUPAC name of N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane (CID 144728091) is N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane.

What is the SMILES notation for N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane?

The canonical SMILES for N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane is C/C=C\c1c(NC=O)cccc1-c1cnn2cc(-c3ccc(N4C(C)CNCC4C)cc3)cnc12.COC.

What is the InChIKey of N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane?

The InChIKey is KWHIPXMMYAQJBM-YHSAGPEESA-N. The full InChI is InChI=1S/C28H30N6O.C2H6O/c1-4-6-25-24(7-5-8-27(25)31-18-35)26-16-32-33-17-22(15-30-28(26)33)21-9-11-23(12-10-21)34-19(2)13-29-14-20(34)3;1-3-2/h4-12,15-20,29H,13-14H2,1-3H3,(H,31,35);1-2H3/b6-4-;.

What are the key properties of N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane?

N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane has a molecular weight of 512.66 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(Z)-prop-1-enyl]phenyl]formamide;methoxymethane is sourced from PubChem (CID 144728091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).