[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C101H92BrN25O5S2 — CID 160926247

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccco4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4Br)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H25N7O.C25H24N6OS.C24H21BrN6OS.C24H22N6O2/c29-26-25-24(23-15-19-3-1-2-4-21(19)32-23)33-27(35(25)14-11-31-26)18-8-12-34(13-9-18)28(36)20-6-5-17-7-10-30-22(17)16-20;1-15-8-13-33-22(15)25(32)30-10-6-16(7-11-30)24-29-20(21-23(26)27-9-12-31(21)24)19-14-17-4-2-3-5-18(17)28-19;25-21-16(7-12-33-21)24(32)30-9-5-14(6-10-30)23-29-19(20-22(26)27-8-11-31(20)23)18-13-15-3-1-2-4-17(15)28-18;25-22-21-20(18-14-16-4-1-2-5-17(16)27-18)28-23(30(21)12-9-26-22)15-7-10-29(11-8-15)24(31)19-6-3-13-32-19/h1-7,10-11,14-16,18,30,32H,8-9,12-13H2,(H2,29,31);2-5,8-9,12-14,16,28H,6-7,10-11H2,1H3,(H2,26,27);1-4,7-8,11-14,28H,5-6,9-10H2,(H2,26,27);1-6,9,12-15,27H,7-8,10-11H2,(H2,25,26)
InChIKeySSRFTZLVNOFGHZ-UHFFFAOYSA-N
MW1880.05 g/mol
LogP19.19
Rot. Bonds12

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 160926247) has the molecular formula C101H92BrN25O5S2 and a molecular weight of 1880.05 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID160926247
Molecular FormulaC101H92BrN25O5S2
Molecular Weight1880.05 g/mol
Exact Mass1877.63
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccco4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4Br)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H25N7O.C25H24N6OS.C24H21BrN6OS.C24H22N6O2/c29-26-25-24(23-15-19-3-1-2-4-21(19)32-23)33-27(35(25)14-11-31-26)18-8-12-34(13-9-18)28(36)20-6-5-17-7-10-30-22(17)16-20;1-15-8-13-33-22(15)25(32)30-10-6-16(7-11-30)24-29-20(21-23(26)27-9-12-31(21)24)19-14-17-4-2-3-5-18(17)28-19;25-21-16(7-12-33-21)24(32)30-9-5-14(6-10-30)23-29-19(20-22(26)27-8-11-31(20)23)18-13-15-3-1-2-4-17(15)28-18;25-22-21-20(18-14-16-4-1-2-5-17(16)27-18)28-23(30(21)12-9-26-22)15-7-10-29(11-8-15)24(31)19-6-3-13-32-19/h1-7,10-11,14-16,18,30,32H,8-9,12-13H2,(H2,29,31);2-5,8-9,12-14,16,28H,6-7,10-11H2,1H3,(H2,26,27);1-4,7-8,11-14,28H,5-6,9-10H2,(H2,26,27);1-6,9,12-15,27H,7-8,10-11H2,(H2,25,26)
InChIKeySSRFTZLVNOFGHZ-UHFFFAOYSA-N
XLogP19.19
TPSA398.17 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.05
LogP ≤ 519.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 160926247) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccco4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4Br)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is SSRFTZLVNOFGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O.C25H24N6OS.C24H21BrN6OS.C24H22N6O2/c29-26-25-24(23-15-19-3-1-2-4-21(19)32-23)33-27(35(25)14-11-31-26)18-8-12-34(13-9-18)28(36)20-6-5-17-7-10-30-22(17)16-20;1-15-8-13-33-22(15)25(32)30-10-6-16(7-11-30)24-29-20(21-23(26)27-9-12-31(21)24)19-14-17-4-2-3-5-18(17)28-19;25-21-16(7-12-33-21)24(32)30-9-5-14(6-10-30)23-29-19(20-22(26)27-8-11-31(20)23)18-13-15-3-1-2-4-17(15)28-18;25-22-21-20(18-14-16-4-1-2-5-17(16)27-18)28-23(30(21)12-9-26-22)15-7-10-29(11-8-15)24(31)19-6-3-13-32-19/h1-7,10-11,14-16,18,30,32H,8-9,12-13H2,(H2,29,31);2-5,8-9,12-14,16,28H,6-7,10-11H2,1H3,(H2,26,27);1-4,7-8,11-14,28H,5-6,9-10H2,(H2,26,27);1-6,9,12-15,27H,7-8,10-11H2,(H2,25,26).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 1880.05 g/mol, XLogP of 19.19, 12 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(2-bromothiophen-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-2-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 160926247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).