3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol

C23H26F2N6O — CID 118320528

IUPAC3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol
SMILESCc1cc2nc(NC3CC(O)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H26F2N6O/c1-14-8-20-21(12-26-14)29-23(22(28-20)27-17-10-18(32)11-17)31-6-4-30(5-7-31)13-15-2-3-16(24)9-19(15)25/h2-3,8-9,12,17-18,32H,4-7,10-11,13H2,1H3,(H,27,28)
InChIKeyZHCXROWNKAARGH-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.87
Rot. Bonds5

About 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol

3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol (PubChem CID 118320528) has the molecular formula C23H26F2N6O and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol
PubChem CID118320528
Molecular FormulaC23H26F2N6O
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol
SMILESCc1cc2nc(NC3CC(O)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C23H26F2N6O/c1-14-8-20-21(12-26-14)29-23(22(28-20)27-17-10-18(32)11-17)31-6-4-30(5-7-31)13-15-2-3-16(24)9-19(15)25/h2-3,8-9,12,17-18,32H,4-7,10-11,13H2,1H3,(H,27,28)
InChIKeyZHCXROWNKAARGH-UHFFFAOYSA-N
XLogP2.87
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol 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-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol (CID 118320528) is 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol is Cc1cc2nc(NC3CC(O)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1.
What is the InChIKey of 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol?
The InChIKey is ZHCXROWNKAARGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O/c1-14-8-20-21(12-26-14)29-23(22(28-20)27-17-10-18(32)11-17)31-6-4-30(5-7-31)13-15-2-3-16(24)9-19(15)25/h2-3,8-9,12,17-18,32H,4-7,10-11,13H2,1H3,(H,27,28).
What are the key properties of 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol?
3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol has a molecular weight of 440.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 118320528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).