3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

C68H65FN18O4S2 — CID 160633256

IUPAC3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCC3)nc(-c3cc4cccnc4[nH]3)c12.Nc1nccn2c(C3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H26N6O2S.C25H23FN6O2S.C17H16N6/c1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22;26-18-5-3-6-19(15-18)35(33,34)31-11-8-16(9-12-31)25-30-22(23-24(27)28-10-13-32(23)25)21-14-17-4-1-2-7-20(17)29-21;18-15-14-13(12-9-11-5-2-6-20-16(11)21-12)22-17(10-3-1-4-10)23(14)8-7-19-15/h2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28);1-7,10,13-16,29H,8-9,11-12H2,(H2,27,28);2,5-10H,1,3-4H2,(H2,18,19)(H,20,21)
InChIKeyRIESZWNWJZLHMQ-UHFFFAOYSA-N
MW1281.52 g/mol
LogP11.63
Rot. Bonds10

About 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 160633256) has the molecular formula C68H65FN18O4S2 and a molecular weight of 1281.52 g/mol. Its IUPAC name is 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID160633256
Molecular FormulaC68H65FN18O4S2
Molecular Weight1281.52 g/mol
Exact Mass1280.49
IUPAC Name3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCC3)nc(-c3cc4cccnc4[nH]3)c12.Nc1nccn2c(C3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H26N6O2S.C25H23FN6O2S.C17H16N6/c1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22;26-18-5-3-6-19(15-18)35(33,34)31-11-8-16(9-12-31)25-30-22(23-24(27)28-10-13-32(23)25)21-14-17-4-1-2-7-20(17)29-21;18-15-14-13(12-9-11-5-2-6-20-16(11)21-12)22-17(10-3-1-4-10)23(14)8-7-19-15/h2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28);1-7,10,13-16,29H,8-9,11-12H2,(H2,27,28);2,5-10H,1,3-4H2,(H2,18,19)(H,20,21)
InChIKeyRIESZWNWJZLHMQ-UHFFFAOYSA-N
XLogP11.63
TPSA303.65 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001281.52
LogP ≤ 511.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-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
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 67095986
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
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
(3S,4R)-3-methyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S,4R)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 157334976
4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,4-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 157506187
(3S)-N,3-diethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxamide;12-[(4S)-4-ethylpyrrolidin-3-yl]-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2,2,2-trifluoroethanamine
CID 157522671
4-[5-[benzyl(methyl)amino]-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl]-N-tert-butylbenzenesulfonamide;N-[4-[5-[benzyl(methyl)amino]-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl]phenyl]-2-methylpropane-2-sulfonamide;4-[5-[benzyl(methyl)amino]-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;6-[3-cyano-1-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methylpyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157607176
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;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-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (CID 160633256) is 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCC3)nc(-c3cc4cccnc4[nH]3)c12.Nc1nccn2c(C3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is RIESZWNWJZLHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S.C25H23FN6O2S.C17H16N6/c1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22;26-18-5-3-6-19(15-18)35(33,34)31-11-8-16(9-12-31)25-30-22(23-24(27)28-10-13-32(23)25)21-14-17-4-1-2-7-20(17)29-21;18-15-14-13(12-9-11-5-2-6-20-16(11)21-12)22-17(10-3-1-4-10)23(14)8-7-19-15/h2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28);1-7,10,13-16,29H,8-9,11-12H2,(H2,27,28);2,5-10H,1,3-4H2,(H2,18,19)(H,20,21).
What are the key properties of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1281.52 g/mol, XLogP of 11.63, 10 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 160633256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).