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

C26H23BrN6O — CID 16678757

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc(Br)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H23BrN6O/c27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21/h1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29)
InChIKeyUPLXEQRRUWTSSX-UHFFFAOYSA-N
MW515.42 g/mol
LogP5.24
Rot. Bonds3

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone (PubChem CID 16678757) has the molecular formula C26H23BrN6O and a molecular weight of 515.42 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone
PubChem CID16678757
Molecular FormulaC26H23BrN6O
Molecular Weight515.42 g/mol
Exact Mass514.11
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc(Br)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H23BrN6O/c27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21/h1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29)
InChIKeyUPLXEQRRUWTSSX-UHFFFAOYSA-N
XLogP5.24
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-(4-bromophenyl)methanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone (CID 16678757) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)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]-(4-bromophenyl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone is Nc1nccn2c(C3CCN(C(=O)c4ccc(Br)cc4)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]-(4-bromophenyl)methanone?
The InChIKey is UPLXEQRRUWTSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN6O/c27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21/h1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone has a molecular weight of 515.42 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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]-(4-bromophenyl)methanone is sourced from PubChem (CID 16678757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).