N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide

C21H19FN6O2 — CID 162384162

IUPACN-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide
SMILESCNc1ccc(-c2cnc3c(Nc4ccc(NC(=O)CO)cc4)nccn23)cc1F
InChIInChI=1S/C21H19FN6O2/c1-23-17-7-2-13(10-16(17)22)18-11-25-21-20(24-8-9-28(18)21)27-15-5-3-14(4-6-15)26-19(30)12-29/h2-11,23,29H,12H2,1H3,(H,24,27)(H,26,30)
InChIKeyXGKNWSDXVHYIJQ-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.25
Rot. Bonds6

About N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide

N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide (PubChem CID 162384162) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide
PubChem CID162384162
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC NameN-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide
SMILESCNc1ccc(-c2cnc3c(Nc4ccc(NC(=O)CO)cc4)nccn23)cc1F
InChIInChI=1S/C21H19FN6O2/c1-23-17-7-2-13(10-16(17)22)18-11-25-21-20(24-8-9-28(18)21)27-15-5-3-14(4-6-15)26-19(30)12-29/h2-11,23,29H,12H2,1H3,(H,24,27)(H,26,30)
InChIKeyXGKNWSDXVHYIJQ-UHFFFAOYSA-N
XLogP3.25
TPSA103.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide (CID 162384162) is N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide is CNc1ccc(-c2cnc3c(Nc4ccc(NC(=O)CO)cc4)nccn23)cc1F.
What is the InChIKey of N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide?
The InChIKey is XGKNWSDXVHYIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-23-17-7-2-13(10-16(17)22)18-11-25-21-20(24-8-9-28(18)21)27-15-5-3-14(4-6-15)26-19(30)12-29/h2-11,23,29H,12H2,1H3,(H,24,27)(H,26,30).
What are the key properties of N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide?
N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide has a molecular weight of 406.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[3-fluoro-4-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 162384162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).