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

C95H93FN24O8S3 — CID 158433602

IUPAC3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.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
InChIInChI=1S/C27H28N6O4S.C26H26N6O2S.C25H23FN6O2S.C17H16N6/c1-36-19-7-8-22(37-2)23(16-19)38(34,35)32-12-9-17(10-13-32)27-31-24(25-26(28)29-11-14-33(25)27)21-15-18-5-3-4-6-20(18)30-21;1-17-6-8-20(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/h3-8,11,14-17,30H,9-10,12-13H2,1-2H3,(H2,28,29);2-9,12,15-16,18,29H,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)
InChIKeyHBYMCZYTHPAGEW-UHFFFAOYSA-N
MW1814.15 g/mol
LogP15.67
Rot. Bonds16

About 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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 158433602) has the molecular formula C95H93FN24O8S3 and a molecular weight of 1814.15 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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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 CID158433602
Molecular FormulaC95H93FN24O8S3
Molecular Weight1814.15 g/mol
Exact Mass1812.68
IUPAC Name3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.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
InChIInChI=1S/C27H28N6O4S.C26H26N6O2S.C25H23FN6O2S.C17H16N6/c1-36-19-7-8-22(37-2)23(16-19)38(34,35)32-12-9-17(10-13-32)27-31-24(25-26(28)29-11-14-33(25)27)21-15-18-5-3-4-6-20(18)30-21;1-17-6-8-20(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/h3-8,11,14-17,30H,9-10,12-13H2,1-2H3,(H2,28,29);2-9,12,15-16,18,29H,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)
InChIKeyHBYMCZYTHPAGEW-UHFFFAOYSA-N
XLogP15.67
TPSA431.49 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.15
LogP ≤ 515.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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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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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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 158433602) is 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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 COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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 HBYMCZYTHPAGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S.C26H26N6O2S.C25H23FN6O2S.C17H16N6/c1-36-19-7-8-22(37-2)23(16-19)38(34,35)32-12-9-17(10-13-32)27-31-24(25-26(28)29-11-14-33(25)27)21-15-18-5-3-4-6-20(18)30-21;1-17-6-8-20(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/h3-8,11,14-17,30H,9-10,12-13H2,1-2H3,(H2,28,29);2-9,12,15-16,18,29H,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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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 1814.15 g/mol, XLogP of 15.67, 16 rotatable bonds, 8 hydrogen bond donors, and 25 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-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-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 158433602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).