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

C84H78N20O4S — CID 159305704

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOc1cccc(CC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Cn1nc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c2ccccc21.Nc1nccn2c(C3CCN(C(=O)c4csc5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H26N8O.C28H28N6O2.C28H24N6OS/c1-34-22-9-5-3-7-19(22)23(33-34)28(37)35-13-10-17(11-14-35)27-32-24(25-26(29)30-12-15-36(25)27)21-16-18-6-2-4-8-20(18)31-21;1-36-21-7-4-5-18(15-21)16-24(35)33-12-9-19(10-13-33)28-32-25(26-27(29)30-11-14-34(26)28)23-17-20-6-2-3-8-22(20)31-23;29-26-25-24(22-15-18-5-1-3-7-21(18)31-22)32-27(34(25)14-11-30-26)17-9-12-33(13-10-17)28(35)20-16-36-23-8-4-2-6-19(20)23/h2-9,12,15-17,31H,10-11,13-14H2,1H3,(H2,29,30);2-8,11,14-15,17,19,31H,9-10,12-13,16H2,1H3,(H2,29,30);1-8,11,14-17,31H,9-10,12-13H2,(H2,29,30)
InChIKeyLBWUTUWKQDOEAV-UHFFFAOYSA-N
MW1463.75 g/mol
LogP14.48
Rot. Bonds11

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 159305704) has the molecular formula C84H78N20O4S and a molecular weight of 1463.75 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID159305704
Molecular FormulaC84H78N20O4S
Molecular Weight1463.75 g/mol
Exact Mass1462.62
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOc1cccc(CC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Cn1nc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c2ccccc21.Nc1nccn2c(C3CCN(C(=O)c4csc5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H26N8O.C28H28N6O2.C28H24N6OS/c1-34-22-9-5-3-7-19(22)23(33-34)28(37)35-13-10-17(11-14-35)27-32-24(25-26(29)30-12-15-36(25)27)21-16-18-6-2-4-8-20(18)31-21;1-36-21-7-4-5-18(15-21)16-24(35)33-12-9-19(10-13-33)28-32-25(26-27(29)30-11-14-34(26)28)23-17-20-6-2-3-8-22(20)31-23;29-26-25-24(22-15-18-5-1-3-7-21(18)31-22)32-27(34(25)14-11-30-26)17-9-12-33(13-10-17)28(35)20-16-36-23-8-4-2-6-19(20)23/h2-9,12,15-17,31H,10-11,13-14H2,1H3,(H2,29,30);2-8,11,14-15,17,19,31H,9-10,12-13,16H2,1H3,(H2,29,30);1-8,11,14-17,31H,9-10,12-13H2,(H2,29,30)
InChIKeyLBWUTUWKQDOEAV-UHFFFAOYSA-N
XLogP14.48
TPSA303.98 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms109
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001463.75
LogP ≤ 514.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-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]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 159305704) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-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]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is COc1cccc(CC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Cn1nc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c2ccccc21.Nc1nccn2c(C3CCN(C(=O)c4csc5ccccc45)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]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is LBWUTUWKQDOEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O.C28H28N6O2.C28H24N6OS/c1-34-22-9-5-3-7-19(22)23(33-34)28(37)35-13-10-17(11-14-35)27-32-24(25-26(29)30-12-15-36(25)27)21-16-18-6-2-4-8-20(18)31-21;1-36-21-7-4-5-18(15-21)16-24(35)33-12-9-19(10-13-33)28-32-25(26-27(29)30-11-14-34(26)28)23-17-20-6-2-3-8-22(20)31-23;29-26-25-24(22-15-18-5-1-3-7-21(18)31-22)32-27(34(25)14-11-30-26)17-9-12-33(13-10-17)28(35)20-16-36-23-8-4-2-6-19(20)23/h2-9,12,15-17,31H,10-11,13-14H2,1H3,(H2,29,30);2-8,11,14-15,17,19,31H,9-10,12-13,16H2,1H3,(H2,29,30);1-8,11,14-17,31H,9-10,12-13H2,(H2,29,30).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 1463.75 g/mol, XLogP of 14.48, 11 rotatable bonds, 6 hydrogen bond donors, and 19 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]-(1-benzothiophen-3-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 159305704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).