3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

C69H73F3N18O6S3 — CID 160983011

IUPAC3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCCS(=O)(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(S(=O)(=O)CCC(F)(F)F)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H24N6O2S.C22H23F3N6O2S.C22H26N6O2S/c26-24-23-22(21-16-18-6-4-5-9-20(18)28-21)29-25(31(23)15-12-27-24)17-10-13-30(14-11-17)34(32,33)19-7-2-1-3-8-19;23-22(24,25)7-12-34(32,33)30-9-5-14(6-10-30)21-29-18(19-20(26)27-8-11-31(19)21)17-13-15-3-1-2-4-16(15)28-17;1-2-13-31(29,30)27-10-7-15(8-11-27)22-26-19(20-21(23)24-9-12-28(20)22)18-14-16-5-3-4-6-17(16)25-18/h1-9,12,15-17,28H,10-11,13-14H2,(H2,26,27);1-4,8,11,13-14,28H,5-7,9-10,12H2,(H2,26,27);3-6,9,12,14-15,25H,2,7-8,10-11,13H2,1H3,(H2,23,24)
InChIKeySZTLOAZPYQZQAI-UHFFFAOYSA-N
MW1403.66 g/mol
LogP11.33
Rot. Bonds14

About 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 160983011) has the molecular formula C69H73F3N18O6S3 and a molecular weight of 1403.66 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID160983011
Molecular FormulaC69H73F3N18O6S3
Molecular Weight1403.66 g/mol
Exact Mass1402.51
IUPAC Name3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCCS(=O)(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(S(=O)(=O)CCC(F)(F)F)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H24N6O2S.C22H23F3N6O2S.C22H26N6O2S/c26-24-23-22(21-16-18-6-4-5-9-20(18)28-21)29-25(31(23)15-12-27-24)17-10-13-30(14-11-17)34(32,33)19-7-2-1-3-8-19;23-22(24,25)7-12-34(32,33)30-9-5-14(6-10-30)21-29-18(19-20(26)27-8-11-31(19)21)17-13-15-3-1-2-4-16(15)28-17;1-2-13-31(29,30)27-10-7-15(8-11-27)22-26-19(20-21(23)24-9-12-28(20)22)18-14-16-5-3-4-6-17(16)25-18/h1-9,12,15-17,28H,10-11,13-14H2,(H2,26,27);1-4,8,11,13-14,28H,5-7,9-10,12H2,(H2,26,27);3-6,9,12,14-15,25H,2,7-8,10-11,13H2,1H3,(H2,23,24)
InChIKeySZTLOAZPYQZQAI-UHFFFAOYSA-N
XLogP11.33
TPSA328.14 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001403.66
LogP ≤ 511.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16679161
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16679256
1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 16679361
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 67095986
1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 68744550
N-[[3-fluoro-5-[2-[5-[5-[[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137117819
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine
CID 141172993
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazine
CID 141173007
N-[6-(2,4-difluorophenyl)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-3-[4-[3-[2-(2,4-difluorophenyl)-6-(propylsulfonylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propane-1-sulfonamide
CID 156047652
N-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methyl]-1,1-diphenylmethanimine;3,3,3-trifluoro-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propan-1-amine;hydrochloride
CID 157148453
4-Ethylsulfinyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,6-naphthyridine
CID 157151031
6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide;6-[3-cyano-6-fluoro-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-6-(trifluoromethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157167151

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (CID 160983011) is 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is CCCS(=O)(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(S(=O)(=O)CCC(F)(F)F)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is SZTLOAZPYQZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S.C22H23F3N6O2S.C22H26N6O2S/c26-24-23-22(21-16-18-6-4-5-9-20(18)28-21)29-25(31(23)15-12-27-24)17-10-13-30(14-11-17)34(32,33)19-7-2-1-3-8-19;23-22(24,25)7-12-34(32,33)30-9-5-14(6-10-30)21-29-18(19-20(26)27-8-11-31(19)21)17-13-15-3-1-2-4-16(15)28-17;1-2-13-31(29,30)27-10-7-15(8-11-27)22-26-19(20-21(23)24-9-12-28(20)22)18-14-16-5-3-4-6-17(16)25-18/h1-9,12,15-17,28H,10-11,13-14H2,(H2,26,27);1-4,8,11,13-14,28H,5-7,9-10,12H2,(H2,26,27);3-6,9,12,14-15,25H,2,7-8,10-11,13H2,1H3,(H2,23,24).
What are the key properties of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1403.66 g/mol, XLogP of 11.33, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 160983011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).