3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

C18H17N5O — CID 16678447

IUPAC3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C18H17N5O/c19-17-16-15(14-9-10-3-1-2-4-13(10)21-14)22-18(11-7-12(24)8-11)23(16)6-5-20-17/h1-6,9,11-12,21,24H,7-8H2,(H2,19,20)
InChIKeyYUVRLLXDRZBHMM-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.70
Rot. Bonds2

About 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (PubChem CID 16678447) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
PubChem CID16678447
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C18H17N5O/c19-17-16-15(14-9-10-3-1-2-4-13(10)21-14)22-18(11-7-12(24)8-11)23(16)6-5-20-17/h1-6,9,11-12,21,24H,7-8H2,(H2,19,20)
InChIKeyYUVRLLXDRZBHMM-UHFFFAOYSA-N
XLogP2.70
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (CID 16678447) is 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is Nc1nccn2c(C3CC(O)C3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The InChIKey is YUVRLLXDRZBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-17-16-15(14-9-10-3-1-2-4-13(10)21-14)22-18(11-7-12(24)8-11)23(16)6-5-20-17/h1-6,9,11-12,21,24H,7-8H2,(H2,19,20).
What are the key properties of 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol has a molecular weight of 319.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 16678447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).