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

C24H24F2N6 — CID 11697777

IUPAC6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3cccc(N4CCN(C)CC4)c3)cnn2c(N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F2N6/c1-15-22(17-6-7-20(25)21(26)13-17)23(27)32-24(29-15)19(14-28-32)16-4-3-5-18(12-16)31-10-8-30(2)9-11-31/h3-7,12-14H,8-11,27H2,1-2H3
InChIKeyGGNHZTJQZSZVMB-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.98
Rot. Bonds3

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

6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11697777) has the molecular formula C24H24F2N6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11697777
Molecular FormulaC24H24F2N6
Molecular Weight434.49 g/mol
Exact Mass434.20
IUPAC Name6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3cccc(N4CCN(C)CC4)c3)cnn2c(N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F2N6/c1-15-22(17-6-7-20(25)21(26)13-17)23(27)32-24(29-15)19(14-28-32)16-4-3-5-18(12-16)31-10-8-30(2)9-11-31/h3-7,12-14H,8-11,27H2,1-2H3
InChIKeyGGNHZTJQZSZVMB-UHFFFAOYSA-N
XLogP3.98
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11697777) is 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3cccc(N4CCN(C)CC4)c3)cnn2c(N)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GGNHZTJQZSZVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6/c1-15-22(17-6-7-20(25)21(26)13-17)23(27)32-24(29-15)19(14-28-32)16-4-3-5-18(12-16)31-10-8-30(2)9-11-31/h3-7,12-14H,8-11,27H2,1-2H3.
What are the key properties of 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 434.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11697777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).