benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

C27H26N6O2 — CID 16679362

IUPACbenzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESNc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C27H26N6O2/c28-25-24-23(22-16-20-8-4-5-9-21(20)30-22)31-26(33(24)15-12-29-25)19-10-13-32(14-11-19)27(34)35-17-18-6-2-1-3-7-18/h1-9,12,15-16,19,30H,10-11,13-14,17H2,(H2,28,29)
InChIKeyBBWZYEWUQPGNAM-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.98
Rot. Bonds4

About benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (PubChem CID 16679362) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
PubChem CID16679362
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Namebenzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESNc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C27H26N6O2/c28-25-24-23(22-16-20-8-4-5-9-21(20)30-22)31-26(33(24)15-12-29-25)19-10-13-32(14-11-19)27(34)35-17-18-6-2-1-3-7-18/h1-9,12,15-16,19,30H,10-11,13-14,17H2,(H2,28,29)
InChIKeyBBWZYEWUQPGNAM-UHFFFAOYSA-N
XLogP4.98
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate 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 benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (CID 16679362) is benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is Nc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The InChIKey is BBWZYEWUQPGNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c28-25-24-23(22-16-20-8-4-5-9-21(20)30-22)31-26(33(24)15-12-29-25)19-10-13-32(14-11-19)27(34)35-17-18-6-2-1-3-7-18/h1-9,12,15-16,19,30H,10-11,13-14,17H2,(H2,28,29).
What are the key properties of benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate has a molecular weight of 466.55 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 16679362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).