[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone

C76H70N20O3S2 — CID 160662133

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESNc1nccn2c(C3CCN(C(=O)Cc4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cncs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H25N7O.C25H24N6OS.C23H21N7OS/c29-26-25-24(23-16-18-4-1-2-6-21(18)32-23)33-27(35(25)15-12-31-26)17-9-13-34(14-10-17)28(36)20-5-3-7-22-19(20)8-11-30-22;26-24-23-22(20-14-18-3-1-2-4-19(18)28-20)29-25(31(23)11-8-27-24)17-5-9-30(10-6-17)21(32)13-16-7-12-33-15-16;24-21-20-19(17-11-15-3-1-2-4-16(15)27-17)28-22(30(20)10-7-26-21)14-5-8-29(9-6-14)23(31)18-12-25-13-32-18/h1-8,11-12,15-17,30,32H,9-10,13-14H2,(H2,29,31);1-4,7-8,11-12,14-15,17,28H,5-6,9-10,13H2,(H2,26,27);1-4,7,10-14,27H,5-6,8-9H2,(H2,24,26)
InChIKeyRLUUALYUIFLDON-UHFFFAOYSA-N
MW1375.67 g/mol
LogP13.37
Rot. Bonds10

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 160662133) has the molecular formula C76H70N20O3S2 and a molecular weight of 1375.67 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID160662133
Molecular FormulaC76H70N20O3S2
Molecular Weight1375.67 g/mol
Exact Mass1374.54
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESNc1nccn2c(C3CCN(C(=O)Cc4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cncs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H25N7O.C25H24N6OS.C23H21N7OS/c29-26-25-24(23-16-18-4-1-2-6-21(18)32-23)33-27(35(25)15-12-31-26)17-9-13-34(14-10-17)28(36)20-5-3-7-22-19(20)8-11-30-22;26-24-23-22(20-14-18-3-1-2-4-19(18)28-20)29-25(31(23)11-8-27-24)17-5-9-30(10-6-17)21(32)13-16-7-12-33-15-16;24-21-20-19(17-11-15-3-1-2-4-16(15)27-17)28-22(30(20)10-7-26-21)14-5-8-29(9-6-14)23(31)18-12-25-13-32-18/h1-8,11-12,15-17,30,32H,9-10,13-14H2,(H2,29,31);1-4,7-8,11-12,14-15,17,28H,5-6,9-10,13H2,(H2,26,27);1-4,7,10-14,27H,5-6,8-9H2,(H2,24,26)
InChIKeyRLUUALYUIFLDON-UHFFFAOYSA-N
XLogP13.37
TPSA305.61 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms101
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.67
LogP ≤ 513.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone (CID 160662133) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone is Nc1nccn2c(C3CCN(C(=O)Cc4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cncs4)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]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is RLUUALYUIFLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O.C25H24N6OS.C23H21N7OS/c29-26-25-24(23-16-18-4-1-2-6-21(18)32-23)33-27(35(25)15-12-31-26)17-9-13-34(14-10-17)28(36)20-5-3-7-22-19(20)8-11-30-22;26-24-23-22(20-14-18-3-1-2-4-19(18)28-20)29-25(31(23)11-8-27-24)17-5-9-30(10-6-17)21(32)13-16-7-12-33-15-16;24-21-20-19(17-11-15-3-1-2-4-16(15)27-17)28-22(30(20)10-7-26-21)14-5-8-29(9-6-14)23(31)18-12-25-13-32-18/h1-8,11-12,15-17,30,32H,9-10,13-14H2,(H2,29,31);1-4,7-8,11-12,14-15,17,28H,5-6,9-10,13H2,(H2,26,27);1-4,7,10-14,27H,5-6,8-9H2,(H2,24,26).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 1375.67 g/mol, XLogP of 13.37, 10 rotatable bonds, 7 hydrogen bond donors, and 18 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]-(1H-indol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 160662133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).