N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide

C22H20FN5O2 — CID 162384056

IUPACN-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(NC(C)=O)c(C)c4)nccn23)c(F)c1
InChIInChI=1S/C22H20FN5O2/c1-13-10-15(4-7-19(13)26-14(2)29)27-21-22-25-12-20(28(22)9-8-24-21)17-6-5-16(30-3)11-18(17)23/h4-12H,1-3H3,(H,24,27)(H,26,29)
InChIKeyBZAYTHRYHQMWGA-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.55
Rot. Bonds5

About N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide

N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide (PubChem CID 162384056) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide
PubChem CID162384056
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(NC(C)=O)c(C)c4)nccn23)c(F)c1
InChIInChI=1S/C22H20FN5O2/c1-13-10-15(4-7-19(13)26-14(2)29)27-21-22-25-12-20(28(22)9-8-24-21)17-6-5-16(30-3)11-18(17)23/h4-12H,1-3H3,(H,24,27)(H,26,29)
InChIKeyBZAYTHRYHQMWGA-UHFFFAOYSA-N
XLogP4.55
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidocyclobutyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166892828
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoic acid;methyl 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoate
CID 175887967
tert-butyl 4-[2-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylanilino]-2-oxoethyl]piperazine-1-carboxylate
CID 162384165
1-[4-[4-[[3-(2-chloro-3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]ethanone
CID 147209348
N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide
CID 126472336
N-(2-aminoethyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 167318488
[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 154943656
N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 154943189
N-(7-aminoheptyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
CID 166579740
N-[(5S)-5-aminohexyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166593418
5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid
CID 175843584
N-(4-methoxyphenyl)-3-phenylimidazo[1,2-a]pyrazin-8-amine
CID 11483908

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide (CID 162384056) is N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide is COc1ccc(-c2cnc3c(Nc4ccc(NC(C)=O)c(C)c4)nccn23)c(F)c1.
What is the InChIKey of N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide?
The InChIKey is BZAYTHRYHQMWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-13-10-15(4-7-19(13)26-14(2)29)27-21-22-25-12-20(28(22)9-8-24-21)17-6-5-16(30-3)11-18(17)23/h4-12H,1-3H3,(H,24,27)(H,26,29).
What are the key properties of N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide?
N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 405.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 162384056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).