N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide

C22H21F3N6O2 — CID 146544807

IUPACN-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide
SMILESCC(=O)NCC(C1CC1)N1Cc2cc(-c3cnc4c(N)nc(C(F)(F)F)cn34)ccc2C1=O
InChIInChI=1S/C22H21F3N6O2/c1-11(32)27-7-16(12-2-3-12)31-9-14-6-13(4-5-15(14)21(31)33)17-8-28-20-19(26)29-18(10-30(17)20)22(23,24)25/h4-6,8,10,12,16H,2-3,7,9H2,1H3,(H2,26,29)(H,27,32)
InChIKeyPXBWGAWOCLHWRF-UHFFFAOYSA-N
MW458.44 g/mol
LogP2.87
Rot. Bonds5

About N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide

N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide (PubChem CID 146544807) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide
PubChem CID146544807
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC NameN-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide
SMILESCC(=O)NCC(C1CC1)N1Cc2cc(-c3cnc4c(N)nc(C(F)(F)F)cn34)ccc2C1=O
InChIInChI=1S/C22H21F3N6O2/c1-11(32)27-7-16(12-2-3-12)31-9-14-6-13(4-5-15(14)21(31)33)17-8-28-20-19(26)29-18(10-30(17)20)22(23,24)25/h4-6,8,10,12,16H,2-3,7,9H2,1H3,(H2,26,29)(H,27,32)
InChIKeyPXBWGAWOCLHWRF-UHFFFAOYSA-N
XLogP2.87
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide?
The IUPAC name of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide (CID 146544807) is N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide.
What is the SMILES notation for N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide?
The canonical SMILES for N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide is CC(=O)NCC(C1CC1)N1Cc2cc(-c3cnc4c(N)nc(C(F)(F)F)cn34)ccc2C1=O.
What is the InChIKey of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide?
The InChIKey is PXBWGAWOCLHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-11(32)27-7-16(12-2-3-12)31-9-14-6-13(4-5-15(14)21(31)33)17-8-28-20-19(26)29-18(10-30(17)20)22(23,24)25/h4-6,8,10,12,16H,2-3,7,9H2,1H3,(H2,26,29)(H,27,32).
What are the key properties of N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide?
N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide has a molecular weight of 458.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-cyclopropylethyl]acetamide is sourced from PubChem (CID 146544807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).