3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine

C24H24F2N8 — CID 24763022

IUPAC3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(-c4nncn4-c4cccc(F)c4F)n3)cc2)CC1
InChIInChI=1S/C24H24F2N8/c1-32-9-11-33(12-10-32)14-16-5-7-17(8-6-16)19-13-28-23(27)22(30-19)24-31-29-15-34(24)20-4-2-3-18(25)21(20)26/h2-8,13,15H,9-12,14H2,1H3,(H2,27,28)
InChIKeySXSRECPZKIMBFE-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.00
Rot. Bonds5

About 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine

3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine (PubChem CID 24763022) has the molecular formula C24H24F2N8 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine
PubChem CID24763022
Molecular FormulaC24H24F2N8
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cnc(N)c(-c4nncn4-c4cccc(F)c4F)n3)cc2)CC1
InChIInChI=1S/C24H24F2N8/c1-32-9-11-33(12-10-32)14-16-5-7-17(8-6-16)19-13-28-23(27)22(30-19)24-31-29-15-34(24)20-4-2-3-18(25)21(20)26/h2-8,13,15H,9-12,14H2,1H3,(H2,27,28)
InChIKeySXSRECPZKIMBFE-UHFFFAOYSA-N
XLogP3.00
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

Avapritinib
CID 118023034
Tegobuvir
CID 23649154
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
L-790070
CID 9806182
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine?
The IUPAC name of 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine (CID 24763022) is 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine is CN1CCN(Cc2ccc(-c3cnc(N)c(-c4nncn4-c4cccc(F)c4F)n3)cc2)CC1.
What is the InChIKey of 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine?
The InChIKey is SXSRECPZKIMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N8/c1-32-9-11-33(12-10-32)14-16-5-7-17(8-6-16)19-13-28-23(27)22(30-19)24-31-29-15-34(24)20-4-2-3-18(25)21(20)26/h2-8,13,15H,9-12,14H2,1H3,(H2,27,28).
What are the key properties of 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine?
3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine has a molecular weight of 462.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 24763022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).