3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

C25H22N6O — CID 24861293

IUPAC3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(Nc5ccccc5)nc4c3)c12
InChIInChI=1S/C25H22N6O/c26-24-23-22(30-25(17-12-19(32)13-17)31(23)11-10-27-24)16-7-6-15-8-9-21(29-20(15)14-16)28-18-4-2-1-3-5-18/h1-11,14,17,19,32H,12-13H2,(H2,26,27)(H,28,29)
InChIKeyKNNNVAYJYWJUJS-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.51
Rot. Bonds4

About 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (PubChem CID 24861293) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
PubChem CID24861293
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(Nc5ccccc5)nc4c3)c12
InChIInChI=1S/C25H22N6O/c26-24-23-22(30-25(17-12-19(32)13-17)31(23)11-10-27-24)16-7-6-15-8-9-21(29-20(15)14-16)28-18-4-2-1-3-5-18/h1-11,14,17,19,32H,12-13H2,(H2,26,27)(H,28,29)
InChIKeyKNNNVAYJYWJUJS-UHFFFAOYSA-N
XLogP4.51
TPSA101.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (CID 24861293) is 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is Nc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(Nc5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The InChIKey is KNNNVAYJYWJUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c26-24-23-22(30-25(17-12-19(32)13-17)31(23)11-10-27-24)16-7-6-15-8-9-21(29-20(15)14-16)28-18-4-2-1-3-5-18/h1-11,14,17,19,32H,12-13H2,(H2,26,27)(H,28,29).
What are the key properties of 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol has a molecular weight of 422.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-anilinoquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 24861293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).