N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide

C25H24F4N6O2 — CID 168735220

IUPACN-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
SMILESCCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NC(C)CN
InChIInChI=1S/C25H24F4N6O2/c1-3-14-10-15(4-5-16(14)24(36)33-13(2)11-30)34-22-23-32-12-18(35(23)9-8-31-22)17-6-7-19(37-25(28)29)21(27)20(17)26/h4-10,12-13,25H,3,11,30H2,1-2H3,(H,31,34)(H,33,36)
InChIKeyNORNMBFUEDUZRY-UHFFFAOYSA-N
MW516.50 g/mol
LogP4.66
Rot. Bonds9

About N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide

N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide (PubChem CID 168735220) has the molecular formula C25H24F4N6O2 and a molecular weight of 516.50 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
PubChem CID168735220
Molecular FormulaC25H24F4N6O2
Molecular Weight516.50 g/mol
Exact Mass516.19
IUPAC NameN-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
SMILESCCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NC(C)CN
InChIInChI=1S/C25H24F4N6O2/c1-3-14-10-15(4-5-16(14)24(36)33-13(2)11-30)34-22-23-32-12-18(35(23)9-8-31-22)17-6-7-19(37-25(28)29)21(27)20(17)26/h4-10,12-13,25H,3,11,30H2,1-2H3,(H,31,34)(H,33,36)
InChIKeyNORNMBFUEDUZRY-UHFFFAOYSA-N
XLogP4.66
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
[(2S)-2-[[4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]-4,4-dimethylpentyl]carbamic acid
CID 175401182
N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 156780635
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(2R)-1-[2-(methylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 166593421
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
N-(2-aminocyclopropyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 166586233
N-[3-[(4-amino-3-hydroxybutanoyl)amino]-2-hydroxypropyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 151998237
N-[3-[(2-aminoacetyl)amino]propyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 150483916
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-(4-oxobutyl)benzamide
CID 154951394
N-[(5S)-5-amino-6-hydroxyhexyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 175843668
N-[(2R)-3-[[(2R)-2,4-diaminobutanoyl]amino]-2-hydroxypropyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 175841221
N-[2-(3-aminopropanoylamino)ethyl]-4-[[3-[2,3-difluoro-4-[(5-fluoro-2-pyridinyl)oxy]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 150542302

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide (CID 168735220) is N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide is CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NC(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?
The InChIKey is NORNMBFUEDUZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6O2/c1-3-14-10-15(4-5-16(14)24(36)33-13(2)11-30)34-22-23-32-12-18(35(23)9-8-31-22)17-6-7-19(37-25(28)29)21(27)20(17)26/h4-10,12-13,25H,3,11,30H2,1-2H3,(H,31,34)(H,33,36).
What are the key properties of N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?
N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide has a molecular weight of 516.50 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide is sourced from PubChem (CID 168735220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).