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

C24H22N6OS — CID 16678865

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C24H22N6OS/c25-22-21-20(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/h1-6,9,12-15,27H,7-8,10-11H2,(H2,25,26)
InChIKeyLWMAMDOLHRNFSI-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.54
Rot. Bonds3

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 16678865) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID16678865
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C24H22N6OS/c25-22-21-20(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/h1-6,9,12-15,27H,7-8,10-11H2,(H2,25,26)
InChIKeyLWMAMDOLHRNFSI-UHFFFAOYSA-N
XLogP4.54
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 59133185
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 59133083
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 16678961
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 16678248
1-[5-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-hydroxymethyl]thiophen-2-yl]ethanone
CID 143541293
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-methylsulfonylethanone
CID 58423415
1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143541403
1-[5-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-3-methoxyphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 157397477
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 158371737
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 16679556
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide
CID 59133084

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]-thiophen-2-ylmethanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 16678865) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone is Nc1nccn2c(C3CCN(C(=O)c4cccs4)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]-thiophen-2-ylmethanone?
The InChIKey is LWMAMDOLHRNFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c25-22-21-20(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/h1-6,9,12-15,27H,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]-thiophen-2-ylmethanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 442.55 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]-thiophen-2-ylmethanone is sourced from PubChem (CID 16678865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).