6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C28H35N9 — CID 68705646

IUPAC6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCN(c2cc(-c3cnn4c(N)c(-c5ccc(N)cc5)cnc34)cc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C28H35N9/c1-33-7-11-35(12-8-33)23-15-21(16-24(17-23)36-13-9-34(2)10-14-36)26-19-32-37-27(30)25(18-31-28(26)37)20-3-5-22(29)6-4-20/h3-6,15-19H,7-14,29-30H2,1-2H3
InChIKeyLXQMEBHICDLEAU-UHFFFAOYSA-N
MW497.65 g/mol
LogP2.73
Rot. Bonds4

About 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68705646) has the molecular formula C28H35N9 and a molecular weight of 497.65 g/mol. Its IUPAC name is 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID68705646
Molecular FormulaC28H35N9
Molecular Weight497.65 g/mol
Exact Mass497.30
IUPAC Name6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCN(c2cc(-c3cnn4c(N)c(-c5ccc(N)cc5)cnc34)cc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C28H35N9/c1-33-7-11-35(12-8-33)23-15-21(16-24(17-23)36-13-9-34(2)10-14-36)26-19-32-37-27(30)25(18-31-28(26)37)20-3-5-22(29)6-4-20/h3-6,15-19H,7-14,29-30H2,1-2H3
InChIKeyLXQMEBHICDLEAU-UHFFFAOYSA-N
XLogP2.73
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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
3-[7-amino-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
CID 11568173
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11553059
3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471525
3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 174501483
4-[4-[7-amino-3-[3-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]butyl carbamate
CID 151414123
6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697777
6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143649548
4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 162371943
3-(3-fluorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471580
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-[3-(4-benzyl-4-methylpiperazin-4-ium-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-(2-chlorophenyl)sulfonylazanide
CID 24856582

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 68705646) is 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is CN1CCN(c2cc(-c3cnn4c(N)c(-c5ccc(N)cc5)cnc34)cc(N3CCN(C)CC3)c2)CC1.
What is the InChIKey of 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LXQMEBHICDLEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N9/c1-33-7-11-35(12-8-33)23-15-21(16-24(17-23)36-13-9-34(2)10-14-36)26-19-32-37-27(30)25(18-31-28(26)37)20-3-5-22(29)6-4-20/h3-6,15-19H,7-14,29-30H2,1-2H3.
What are the key properties of 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 497.65 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68705646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).