N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide

C22H26N6O2S — CID 16678351

IUPACN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C22H26N6O2S/c1-31(29,30)25-13-14-6-8-15(9-7-14)22-27-19(20-21(23)24-10-11-28(20)22)18-12-16-4-2-3-5-17(16)26-18/h2-5,10-12,14-15,25-26H,6-9,13H2,1H3,(H2,23,24)
InChIKeyKBMBTBITALWBQM-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.28
Rot. Bonds5

About N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide (PubChem CID 16678351) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide
PubChem CID16678351
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C22H26N6O2S/c1-31(29,30)25-13-14-6-8-15(9-7-14)22-27-19(20-21(23)24-10-11-28(20)22)18-12-16-4-2-3-5-17(16)26-18/h2-5,10-12,14-15,25-26H,6-9,13H2,1H3,(H2,23,24)
InChIKeyKBMBTBITALWBQM-UHFFFAOYSA-N
XLogP3.28
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide (CID 16678351) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide?
The InChIKey is KBMBTBITALWBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-31(29,30)25-13-14-6-8-15(9-7-14)22-27-19(20-21(23)24-10-11-28(20)22)18-12-16-4-2-3-5-17(16)26-18/h2-5,10-12,14-15,25-26H,6-9,13H2,1H3,(H2,23,24).
What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide?
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide has a molecular weight of 438.56 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 16678351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).