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

C24H26N6O2 — CID 11568173

IUPAC3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCOc1cc(N2CCN(C)CC2)ccc1-c1cnn2c(N)c(-c3cccc(O)c3)cnc12
InChIInChI=1S/C24H26N6O2/c1-28-8-10-29(11-9-28)17-6-7-19(22(13-17)32-2)21-15-27-30-23(25)20(14-26-24(21)30)16-4-3-5-18(31)12-16/h3-7,12-15,31H,8-11,25H2,1-2H3
InChIKeyFDRIDDDHMJVUHB-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.11
Rot. Bonds4

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

3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol (PubChem CID 11568173) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
PubChem CID11568173
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
SMILESCOc1cc(N2CCN(C)CC2)ccc1-c1cnn2c(N)c(-c3cccc(O)c3)cnc12
InChIInChI=1S/C24H26N6O2/c1-28-8-10-29(11-9-28)17-6-7-19(22(13-17)32-2)21-15-27-30-23(25)20(14-26-24(21)30)16-4-3-5-18(31)12-16/h3-7,12-15,31H,8-11,25H2,1-2H3
InChIKeyFDRIDDDHMJVUHB-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

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Related Compounds

4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
CID 11604402
6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143649548
6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68705646
6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine
CID 175917946
4-[4-[7-amino-3-[3-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]butyl carbamate
CID 151414123
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11553059
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697777
3-(3,4-dimethoxyphenyl)-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 141183251
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117433956

Frequently Asked Questions

What is the IUPAC name of 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The IUPAC name of 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol (CID 11568173) is 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol.
What is the SMILES notation for 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The canonical SMILES for 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol is COc1cc(N2CCN(C)CC2)ccc1-c1cnn2c(N)c(-c3cccc(O)c3)cnc12.
What is the InChIKey of 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
The InChIKey is FDRIDDDHMJVUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-28-8-10-29(11-9-28)17-6-7-19(22(13-17)32-2)21-15-27-30-23(25)20(14-26-24(21)30)16-4-3-5-18(31)12-16/h3-7,12-15,31H,8-11,25H2,1-2H3.
What are the key properties of 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol?
3-[7-amino-3-[2-methoxy-4-(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 3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol is sourced from PubChem (CID 11568173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).