3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine

C23H27F3N6O — CID 118310216

IUPAC3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(OC(F)F)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H27F3N6O/c1-14(2)28-21-22(30-20-12-27-15(3)10-19(20)29-21)32-8-6-31(7-9-32)13-16-4-5-17(11-18(16)24)33-23(25)26/h4-5,10-12,14,23H,6-9,13H2,1-3H3,(H,28,29)
InChIKeyHDAGBBBTKWJPTA-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.22
Rot. Bonds7

About 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine

3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 118310216) has the molecular formula C23H27F3N6O and a molecular weight of 460.50 g/mol. Its IUPAC name is 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
PubChem CID118310216
Molecular FormulaC23H27F3N6O
Molecular Weight460.50 g/mol
Exact Mass460.22
IUPAC Name3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(OC(F)F)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H27F3N6O/c1-14(2)28-21-22(30-20-12-27-15(3)10-19(20)29-21)32-8-6-31(7-9-32)13-16-4-5-17(11-18(16)24)33-23(25)26/h4-5,10-12,14,23H,6-9,13H2,1-3H3,(H,28,29)
InChIKeyHDAGBBBTKWJPTA-UHFFFAOYSA-N
XLogP4.22
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine (CID 118310216) is 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine is Cc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(OC(F)F)cc4F)CC3)nc2cn1.
What is the InChIKey of 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The InChIKey is HDAGBBBTKWJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O/c1-14(2)28-21-22(30-20-12-27-15(3)10-19(20)29-21)32-8-6-31(7-9-32)13-16-4-5-17(11-18(16)24)33-23(25)26/h4-5,10-12,14,23H,6-9,13H2,1-3H3,(H,28,29).
What are the key properties of 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine has a molecular weight of 460.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118310216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).