4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol

C24H26N6O2 — CID 11604402

IUPAC4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCOc1ccc(N2CCN(C)CC2)cc1-c1cnn2c(N)c(-c3ccc(O)cc3)cnc12
InChIInChI=1S/C24H26N6O2/c1-28-9-11-29(12-10-28)17-5-8-22(32-2)19(13-17)21-15-27-30-23(25)20(14-26-24(21)30)16-3-6-18(31)7-4-16/h3-8,13-15,31H,9-12,25H2,1-2H3
InChIKeyQQWBVHVBLYOXPZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.11
Rot. Bonds4

About 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol

4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol (PubChem CID 11604402) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
PubChem CID11604402
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCOc1ccc(N2CCN(C)CC2)cc1-c1cnn2c(N)c(-c3ccc(O)cc3)cnc12
InChIInChI=1S/C24H26N6O2/c1-28-9-11-29(12-10-28)17-5-8-22(32-2)19(13-17)21-15-27-30-23(25)20(14-26-24(21)30)16-3-6-18(31)7-4-16/h3-8,13-15,31H,9-12,25H2,1-2H3
InChIKeyQQWBVHVBLYOXPZ-UHFFFAOYSA-N
XLogP3.11
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The IUPAC name of 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol (CID 11604402) is 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol.
What is the SMILES notation for 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The canonical SMILES for 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol is COc1ccc(N2CCN(C)CC2)cc1-c1cnn2c(N)c(-c3ccc(O)cc3)cnc12.
What is the InChIKey of 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The InChIKey is QQWBVHVBLYOXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-28-9-11-29(12-10-28)17-5-8-22(32-2)19(13-17)21-15-27-30-23(25)20(14-26-24(21)30)16-3-6-18(31)7-4-16/h3-8,13-15,31H,9-12,25H2,1-2H3.
What are the key properties of 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol has a molecular weight of 430.51 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol is sourced from PubChem (CID 11604402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).