[2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone

C27H29FN6O2 — CID 154959121

IUPAC[2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4C)cnc23)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C27H29FN6O2/c1-4-18-15-19(5-6-21(18)27(35)33-12-9-29-10-13-33)32-25-26-31-16-22(34(26)14-11-30-25)20-7-8-23(36-3)24(28)17(20)2/h5-8,11,14-16,29H,4,9-10,12-13H2,1-3H3,(H,30,32)
InChIKeyROVWPTVWICBUJF-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.20
Rot. Bonds6

About [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone

[2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 154959121) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
PubChem CID154959121
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name[2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4C)cnc23)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C27H29FN6O2/c1-4-18-15-19(5-6-21(18)27(35)33-12-9-29-10-13-33)32-25-26-31-16-22(34(26)14-11-30-25)20-7-8-23(36-3)24(28)17(20)2/h5-8,11,14-16,29H,4,9-10,12-13H2,1-3H3,(H,30,32)
InChIKeyROVWPTVWICBUJF-UHFFFAOYSA-N
XLogP4.20
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(6-oxohexyl)benzamide
CID 154961604
[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 175841216
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
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]benzamide;hydrochloride
CID 166579773
[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylphenyl]-[4-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]piperazin-1-yl]methanone
CID 154943387
N-(2-aminocyclopropyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 166586233
2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
CID 166593371
2-[4-[8-[3-ethyl-4-[4-[(3S,4R)-3-hydroxypiperidine-4-carbonyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyrazin-3-yl]-2,3-difluorophenoxy]acetonitrile
CID 154943483
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-(4-oxobutyl)benzamide
CID 154951394
N-(1-amino-2-methylpropan-2-yl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide;hydrochloride
CID 166593330
[4-[8-[3-ethyl-4-[4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyrazin-3-yl]-2,3-difluorophenyl] methanesulfonate
CID 154943472
3-amino-2-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]propanoic acid
CID 154943038

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (CID 154959121) is [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4C)cnc23)ccc1C(=O)N1CCNCC1.
What is the InChIKey of [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is ROVWPTVWICBUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-4-18-15-19(5-6-21(18)27(35)33-12-9-29-10-13-33)32-25-26-31-16-22(34(26)14-11-30-25)20-7-8-23(36-3)24(28)17(20)2/h5-8,11,14-16,29H,4,9-10,12-13H2,1-3H3,(H,30,32).
What are the key properties of [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
[2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 488.57 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-[[3-(3-fluoro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154959121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).