1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone

C22H23N5O — CID 138535975

IUPAC1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2nc3cnccn3c2NC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H23N5O/c1-15(28)27-14-18(17-9-5-6-10-19(17)27)21-22(24-16-7-3-2-4-8-16)26-12-11-23-13-20(26)25-21/h5-6,9-14,16,24H,2-4,7-8H2,1H3
InChIKeyZOTKJIOSQKIIQL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.76
Rot. Bonds3

About 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone

1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone (PubChem CID 138535975) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone
PubChem CID138535975
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2nc3cnccn3c2NC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H23N5O/c1-15(28)27-14-18(17-9-5-6-10-19(17)27)21-22(24-16-7-3-2-4-8-16)26-12-11-23-13-20(26)25-21/h5-6,9-14,16,24H,2-4,7-8H2,1H3
InChIKeyZOTKJIOSQKIIQL-UHFFFAOYSA-N
XLogP4.76
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
CID 138535791
1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone
CID 39754047
4-bromo-3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 155179314
N-cyclohexyl-2-(1H-inden-2-yl)imidazo[1,2-a]pyrazin-3-amine
CID 162166087
4-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]benzene-1,2-diol
CID 135674297
4-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 138535788
N,2-dicyclohexylimidazo[1,2-a]pyrazin-3-amine
CID 138535553
N-cyclohexyl-2-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-3-amine
CID 174194223
2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine
CID 42601027
N-cyclohexyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]imidazo[1,2-a]pyrazin-3-amine
CID 132585236
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 4217109

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone (CID 138535975) is 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone is CC(=O)n1cc(-c2nc3cnccn3c2NC2CCCCC2)c2ccccc21.
What is the InChIKey of 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone?
The InChIKey is ZOTKJIOSQKIIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15(28)27-14-18(17-9-5-6-10-19(17)27)21-22(24-16-7-3-2-4-8-16)26-12-11-23-13-20(26)25-21/h5-6,9-14,16,24H,2-4,7-8H2,1H3.
What are the key properties of 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone?
1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone is sourced from PubChem (CID 138535975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).