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

C24H26N6O — CID 46891226

IUPAC3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCc1nn2c(N)c(-c3cccc(O)c3)cnc2c1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H26N6O/c1-16-22(17-6-8-19(9-7-17)29-12-10-28(2)11-13-29)24-26-15-21(23(25)30(24)27-16)18-4-3-5-20(31)14-18/h3-9,14-15,31H,10-13,25H2,1-2H3
InChIKeyQIHAVNGHVXNRAO-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.41
Rot. Bonds3

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

3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol (PubChem CID 46891226) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
PubChem CID46891226
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCc1nn2c(N)c(-c3cccc(O)c3)cnc2c1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C24H26N6O/c1-16-22(17-6-8-19(9-7-17)29-12-10-28(2)11-13-29)24-26-15-21(23(25)30(24)27-16)18-4-3-5-20(31)14-18/h3-9,14-15,31H,10-13,25H2,1-2H3
InChIKeyQIHAVNGHVXNRAO-UHFFFAOYSA-N
XLogP3.41
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The IUPAC name of 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol (CID 46891226) is 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol.
What is the SMILES notation for 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The canonical SMILES for 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol is Cc1nn2c(N)c(-c3cccc(O)c3)cnc2c1-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The InChIKey is QIHAVNGHVXNRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-22(17-6-8-19(9-7-17)29-12-10-28(2)11-13-29)24-26-15-21(23(25)30(24)27-16)18-4-3-5-20(31)14-18/h3-9,14-15,31H,10-13,25H2,1-2H3.
What are the key properties of 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol has a molecular weight of 414.51 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-amino-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol is sourced from PubChem (CID 46891226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).