[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone

C102H96BrN25O5 — CID 158659660

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCN(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc(Br)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H25N7O.C27H26N6O2.C26H23BrN6O.C21H22N6O/c29-26-25-24(23-15-18-5-1-3-7-21(18)32-23)33-27(35(25)14-11-30-26)17-9-12-34(13-10-17)28(36)20-16-31-22-8-4-2-6-19(20)22;1-35-20-8-6-18(7-9-20)27(34)32-13-10-17(11-14-32)26-31-23(24-25(28)29-12-15-33(24)26)22-16-19-4-2-3-5-21(19)30-22;27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21;1-13(28)26-9-6-14(7-10-26)21-25-18(19-20(22)23-8-11-27(19)21)17-12-15-4-2-3-5-16(15)24-17/h1-8,11,14-17,31-32H,9-10,12-13H2,(H2,29,30);2-9,12,15-17,30H,10-11,13-14H2,1H3,(H2,28,29);1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29);2-5,8,11-12,14,24H,6-7,9-10H2,1H3,(H2,22,23)
InChIKeyICPCHBKURJIATG-UHFFFAOYSA-N
MW1831.96 g/mol
LogP17.88
Rot. Bonds12

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 158659660) has the molecular formula C102H96BrN25O5 and a molecular weight of 1831.96 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID158659660
Molecular FormulaC102H96BrN25O5
Molecular Weight1831.96 g/mol
Exact Mass1829.72
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCN(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc(Br)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H25N7O.C27H26N6O2.C26H23BrN6O.C21H22N6O/c29-26-25-24(23-15-18-5-1-3-7-21(18)32-23)33-27(35(25)14-11-30-26)17-9-12-34(13-10-17)28(36)20-16-31-22-8-4-2-6-19(20)22;1-35-20-8-6-18(7-9-20)27(34)32-13-10-17(11-14-32)26-31-23(24-25(28)29-12-15-33(24)26)22-16-19-4-2-3-5-21(19)30-22;27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21;1-13(28)26-9-6-14(7-10-26)21-25-18(19-20(22)23-8-11-27(19)21)17-12-15-4-2-3-5-16(15)24-17/h1-8,11,14-17,31-32H,9-10,12-13H2,(H2,29,30);2-9,12,15-17,30H,10-11,13-14H2,1H3,(H2,28,29);1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29);2-5,8,11-12,14,24H,6-7,9-10H2,1H3,(H2,22,23)
InChIKeyICPCHBKURJIATG-UHFFFAOYSA-N
XLogP17.88
TPSA394.26 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001831.96
LogP ≤ 517.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)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]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 158659660) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)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]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is CC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCN(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc(Br)cc4)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]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ICPCHBKURJIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O.C27H26N6O2.C26H23BrN6O.C21H22N6O/c29-26-25-24(23-15-18-5-1-3-7-21(18)32-23)33-27(35(25)14-11-30-26)17-9-12-34(13-10-17)28(36)20-16-31-22-8-4-2-6-19(20)22;1-35-20-8-6-18(7-9-20)27(34)32-13-10-17(11-14-32)26-31-23(24-25(28)29-12-15-33(24)26)22-16-19-4-2-3-5-21(19)30-22;27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21;1-13(28)26-9-6-14(7-10-26)21-25-18(19-20(22)23-8-11-27(19)21)17-12-15-4-2-3-5-16(15)24-17/h1-8,11,14-17,31-32H,9-10,12-13H2,(H2,29,30);2-9,12,15-17,30H,10-11,13-14H2,1H3,(H2,28,29);1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29);2-5,8,11-12,14,24H,6-7,9-10H2,1H3,(H2,22,23).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 1831.96 g/mol, XLogP of 17.88, 12 rotatable bonds, 9 hydrogen bond donors, and 21 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]-(4-bromophenyl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 158659660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).