7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H22F4N8O — CID 178093275

IUPAC7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccn3c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cnc3c2)c2c(N)ncc(C=C3CN(C)C3)n12
InChIInChI=1S/C27H22F4N8O/c1-14-35-23(24-25(32)34-10-18(39(14)24)7-15-12-37(2)13-15)16-5-6-38-21(11-33-22(38)8-16)26(40)36-20-9-17(27(29,30)31)3-4-19(20)28/h3-11H,12-13H2,1-2H3,(H2,32,34)(H,36,40)
InChIKeyBDLJQGJGOVOARE-UHFFFAOYSA-N
MW550.52 g/mol
LogP4.67
Rot. Bonds4

About 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178093275) has the molecular formula C27H22F4N8O and a molecular weight of 550.52 g/mol. Its IUPAC name is 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID178093275
Molecular FormulaC27H22F4N8O
Molecular Weight550.52 g/mol
Exact Mass550.19
IUPAC Name7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccn3c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cnc3c2)c2c(N)ncc(C=C3CN(C)C3)n12
InChIInChI=1S/C27H22F4N8O/c1-14-35-23(24-25(32)34-10-18(39(14)24)7-15-12-37(2)13-15)16-5-6-38-21(11-33-22(38)8-16)26(40)36-20-9-17(27(29,30)31)3-4-19(20)28/h3-11H,12-13H2,1-2H3,(H2,32,34)(H,36,40)
InChIKeyBDLJQGJGOVOARE-UHFFFAOYSA-N
XLogP4.67
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 178093275) is 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(-c2ccn3c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cnc3c2)c2c(N)ncc(C=C3CN(C)C3)n12.
What is the InChIKey of 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BDLJQGJGOVOARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N8O/c1-14-35-23(24-25(32)34-10-18(39(14)24)7-15-12-37(2)13-15)16-5-6-38-21(11-33-22(38)8-16)26(40)36-20-9-17(27(29,30)31)3-4-19(20)28/h3-11H,12-13H2,1-2H3,(H2,32,34)(H,36,40).
What are the key properties of 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 550.52 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178093275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).