5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C24H26N6 — CID 11553059

IUPAC5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(N4CCN(C)CC4)cc3)cnn2c(N)c1-c1ccccc1
InChIInChI=1S/C24H26N6/c1-17-22(19-6-4-3-5-7-19)23(25)30-24(27-17)21(16-26-30)18-8-10-20(11-9-18)29-14-12-28(2)13-15-29/h3-11,16H,12-15,25H2,1-2H3
InChIKeyQNZSLJQWDRLWJM-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.71
Rot. Bonds3

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

5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11553059) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11553059
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(N4CCN(C)CC4)cc3)cnn2c(N)c1-c1ccccc1
InChIInChI=1S/C24H26N6/c1-17-22(19-6-4-3-5-7-19)23(25)30-24(27-17)21(16-26-30)18-8-10-20(11-9-18)29-14-12-28(2)13-15-29/h3-11,16H,12-15,25H2,1-2H3
InChIKeyQNZSLJQWDRLWJM-UHFFFAOYSA-N
XLogP3.71
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11553059) is 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccc(N4CCN(C)CC4)cc3)cnn2c(N)c1-c1ccccc1.
What is the InChIKey of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QNZSLJQWDRLWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-17-22(19-6-4-3-5-7-19)23(25)30-24(27-17)21(16-26-30)18-8-10-20(11-9-18)29-14-12-28(2)13-15-29/h3-11,16H,12-15,25H2,1-2H3.
What are the key properties of 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 398.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11553059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).