2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol

C23H24F2N4O — CID 122186115

IUPAC2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol
SMILESCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)c(O)c(F)c2)cn1
InChIInChI=1S/C23H24F2N4O/c1-26-22-13-18(19(14-27-22)16-11-20(24)23(30)21(25)12-16)15-3-5-17(6-4-15)29-9-7-28(2)8-10-29/h3-6,11-14,30H,7-10H2,1-2H3,(H,26,27)
InChIKeyGIFPFLKKKQLPLV-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.19
Rot. Bonds4

About 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol

2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol (PubChem CID 122186115) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol
PubChem CID122186115
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol
SMILESCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)c(O)c(F)c2)cn1
InChIInChI=1S/C23H24F2N4O/c1-26-22-13-18(19(14-27-22)16-11-20(24)23(30)21(25)12-16)15-3-5-17(6-4-15)29-9-7-28(2)8-10-29/h3-6,11-14,30H,7-10H2,1-2H3,(H,26,27)
InChIKeyGIFPFLKKKQLPLV-UHFFFAOYSA-N
XLogP4.19
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol 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 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol (CID 122186115) is 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol is CNc1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)c(O)c(F)c2)cn1.
What is the InChIKey of 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol?
The InChIKey is GIFPFLKKKQLPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-26-22-13-18(19(14-27-22)16-11-20(24)23(30)21(25)12-16)15-3-5-17(6-4-15)29-9-7-28(2)8-10-29/h3-6,11-14,30H,7-10H2,1-2H3,(H,26,27).
What are the key properties of 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol?
2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol has a molecular weight of 410.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[6-(methylamino)-4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]phenol is sourced from PubChem (CID 122186115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).