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

C24H22N6O2 — CID 59133053

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccoc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C24H22N6O2/c25-22-21-20(19-13-16-3-1-2-4-18(16)27-19)28-23(30(21)11-8-26-22)15-5-9-29(10-6-15)24(31)17-7-12-32-14-17/h1-4,7-8,11-15,27H,5-6,9-10H2,(H2,25,26)
InChIKeyXFFCJPQPTPNIEP-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.07
Rot. Bonds3

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 59133053) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-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]-(furan-3-yl)methanone
PubChem CID59133053
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccoc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C24H22N6O2/c25-22-21-20(19-13-16-3-1-2-4-18(16)27-19)28-23(30(21)11-8-26-22)15-5-9-29(10-6-15)24(31)17-7-12-32-14-17/h1-4,7-8,11-15,27H,5-6,9-10H2,(H2,25,26)
InChIKeyXFFCJPQPTPNIEP-UHFFFAOYSA-N
XLogP4.07
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

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]-(furan-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]-(furan-3-yl)methanone (CID 59133053) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-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]-(furan-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]-(furan-3-yl)methanone is Nc1nccn2c(C3CCN(C(=O)c4ccoc4)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]-(furan-3-yl)methanone?
The InChIKey is XFFCJPQPTPNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c25-22-21-20(19-13-16-3-1-2-4-18(16)27-19)28-23(30(21)11-8-26-22)15-5-9-29(10-6-15)24(31)17-7-12-32-14-17/h1-4,7-8,11-15,27H,5-6,9-10H2,(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]-(furan-3-yl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 426.48 g/mol, XLogP of 4.07, 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]-(furan-3-yl)methanone is sourced from PubChem (CID 59133053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).