6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C26H31N7O — CID 143649548

IUPAC6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1ccc(-c2cnc3c(-c4cccc(N5CCN(C)CC5)c4)cnn3c2NC)cc1OC
InChIInChI=1S/C26H31N7O/c1-27-23-9-8-19(15-24(23)34-4)21-16-29-26-22(17-30-33(26)25(21)28-2)18-6-5-7-20(14-18)32-12-10-31(3)11-13-32/h5-9,14-17,27-28H,10-13H2,1-4H3
InChIKeyHXDUNISZKXKAHF-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.91
Rot. Bonds6

About 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143649548) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143649548
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1ccc(-c2cnc3c(-c4cccc(N5CCN(C)CC5)c4)cnn3c2NC)cc1OC
InChIInChI=1S/C26H31N7O/c1-27-23-9-8-19(15-24(23)34-4)21-16-29-26-22(17-30-33(26)25(21)28-2)18-6-5-7-20(14-18)32-12-10-31(3)11-13-32/h5-9,14-17,27-28H,10-13H2,1-4H3
InChIKeyHXDUNISZKXKAHF-UHFFFAOYSA-N
XLogP3.91
TPSA69.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone
CID 143649558
3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
CID 11568173
4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
CID 11604402
6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68705646
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)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865320
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471580
benzyl 4-[3-[7-amino-6-(4-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazine-1-carboxylate
CID 59176707
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
4-[4-[7-amino-3-[3-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]butyl carbamate
CID 151414123
3-(3,4-dimethoxyphenyl)-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 71701058

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 143649548) is 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is CNc1ccc(-c2cnc3c(-c4cccc(N5CCN(C)CC5)c4)cnn3c2NC)cc1OC.
What is the InChIKey of 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HXDUNISZKXKAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-27-23-9-8-19(15-24(23)34-4)21-16-29-26-22(17-30-33(26)25(21)28-2)18-6-5-7-20(14-18)32-12-10-31(3)11-13-32/h5-9,14-17,27-28H,10-13H2,1-4H3.
What are the key properties of 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 457.58 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143649548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).