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

C23H21N7OS — CID 59133185

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4cscn4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C23H21N7OS/c24-21-20-19(17-11-15-3-1-2-4-16(15)27-17)28-22(30(20)10-7-25-21)14-5-8-29(9-6-14)23(31)18-12-32-13-26-18/h1-4,7,10-14,27H,5-6,8-9H2,(H2,24,25)
InChIKeyJUFRYAGXJIEFQA-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.94
Rot. Bonds3

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 59133185) has the molecular formula C23H21N7OS and a molecular weight of 443.54 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID59133185
Molecular FormulaC23H21N7OS
Molecular Weight443.54 g/mol
Exact Mass443.15
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4cscn4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C23H21N7OS/c24-21-20-19(17-11-15-3-1-2-4-16(15)27-17)28-22(30(20)10-7-25-21)14-5-8-29(9-6-14)23(31)18-12-32-13-26-18/h1-4,7,10-14,27H,5-6,8-9H2,(H2,24,25)
InChIKeyJUFRYAGXJIEFQA-UHFFFAOYSA-N
XLogP3.94
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 16678865
[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-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]phenyl]-oxidoazanium;hydrate
CID 159246300
[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
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
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
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-methylsulfonylethanone
CID 58423415
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl-benzylcarbamic acid
CID 66737965
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
[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
1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 143469524

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]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 59133185) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-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]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Nc1nccn2c(C3CCN(C(=O)c4cscn4)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]-(1,3-thiazol-4-yl)methanone?
The InChIKey is JUFRYAGXJIEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7OS/c24-21-20-19(17-11-15-3-1-2-4-16(15)27-17)28-22(30(20)10-7-25-21)14-5-8-29(9-6-14)23(31)18-12-32-13-26-18/h1-4,7,10-14,27H,5-6,8-9H2,(H2,24,25).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 443.54 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 59133185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).