N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide

C20H17N5O2 — CID 10269820

IUPACN-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cn3ccnc23)cc1
InChIInChI=1S/C20H17N5O2/c1-13(26)22-15-4-6-16(7-5-15)23-19-20-21-10-11-25(20)12-18(24-19)14-2-8-17(27)9-3-14/h2-12,27H,1H3,(H,22,26)(H,23,24)
InChIKeyYMKKHERERKKVSU-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.80
Rot. Bonds4

About N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide

N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide (PubChem CID 10269820) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide
PubChem CID10269820
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cn3ccnc23)cc1
InChIInChI=1S/C20H17N5O2/c1-13(26)22-15-4-6-16(7-5-15)23-19-20-21-10-11-25(20)12-18(24-19)14-2-8-17(27)9-3-14/h2-12,27H,1H3,(H,22,26)(H,23,24)
InChIKeyYMKKHERERKKVSU-UHFFFAOYSA-N
XLogP3.80
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide (CID 10269820) is N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cn3ccnc23)cc1.
What is the InChIKey of N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide?
The InChIKey is YMKKHERERKKVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13(26)22-15-4-6-16(7-5-15)23-19-20-21-10-11-25(20)12-18(24-19)14-2-8-17(27)9-3-14/h2-12,27H,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide?
N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide is sourced from PubChem (CID 10269820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).