[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

C26H26ClFN6O3 — CID 134600856

IUPAC[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)N4CC(O)C4)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C26H26ClFN6O3/c1-13(2)37-24-16(9-20-32-14(3)23-25(29)30-6-7-34(20)23)8-18(27)22(28)21(24)15-4-5-19(31-10-15)26(36)33-11-17(35)12-33/h4-8,10,13,17,35H,9,11-12H2,1-3H3,(H2,29,30)
InChIKeyQWWULCFZQLCNLH-UHFFFAOYSA-N
MW524.98 g/mol
LogP3.67
Rot. Bonds6

About [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 134600856) has the molecular formula C26H26ClFN6O3 and a molecular weight of 524.98 g/mol. Its IUPAC name is [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID134600856
Molecular FormulaC26H26ClFN6O3
Molecular Weight524.98 g/mol
Exact Mass524.17
IUPAC Name[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)N4CC(O)C4)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C26H26ClFN6O3/c1-13(2)37-24-16(9-20-32-14(3)23-25(29)30-6-7-34(20)23)8-18(27)22(28)21(24)15-4-5-19(31-10-15)26(36)33-11-17(35)12-33/h4-8,10,13,17,35H,9,11-12H2,1-3H3,(H2,29,30)
InChIKeyQWWULCFZQLCNLH-UHFFFAOYSA-N
XLogP3.67
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.98
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-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 [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (CID 134600856) is [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is Cc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)N4CC(O)C4)nc3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is QWWULCFZQLCNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O3/c1-13(2)37-24-16(9-20-32-14(3)23-25(29)30-6-7-34(20)23)8-18(27)22(28)21(24)15-4-5-19(31-10-15)26(36)33-11-17(35)12-33/h4-8,10,13,17,35H,9,11-12H2,1-3H3,(H2,29,30).
What are the key properties of [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 524.98 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 134600856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).