7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C26H22F4N8O — CID 178092901

IUPAC7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[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(CC3CNC3)n12
InChIInChI=1S/C26H22F4N8O/c1-13-35-22(23-24(31)34-11-17(38(13)23)6-14-9-32-10-14)15-4-5-37-20(12-33-21(37)7-15)25(39)36-19-8-16(26(28,29)30)2-3-18(19)27/h2-5,7-8,11-12,14,32H,6,9-10H2,1H3,(H2,31,34)(H,36,39)
InChIKeyRSMMRKLGOCVJOV-UHFFFAOYSA-N
MW538.51 g/mol
LogP4.11
Rot. Bonds5

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

7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178092901) has the molecular formula C26H22F4N8O and a molecular weight of 538.51 g/mol. Its IUPAC name is 7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[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-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID178092901
Molecular FormulaC26H22F4N8O
Molecular Weight538.51 g/mol
Exact Mass538.19
IUPAC Name7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[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(CC3CNC3)n12
InChIInChI=1S/C26H22F4N8O/c1-13-35-22(23-24(31)34-11-17(38(13)23)6-14-9-32-10-14)15-4-5-37-20(12-33-21(37)7-15)25(39)36-19-8-16(26(28,29)30)2-3-18(19)27/h2-5,7-8,11-12,14,32H,6,9-10H2,1H3,(H2,31,34)(H,36,39)
InChIKeyRSMMRKLGOCVJOV-UHFFFAOYSA-N
XLogP4.11
TPSA114.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[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-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 178092901) is 7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[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-5-(azetidin-3-ylmethyl)-3-methylimidazo[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-5-(azetidin-3-ylmethyl)-3-methylimidazo[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(CC3CNC3)n12.
What is the InChIKey of 7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RSMMRKLGOCVJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N8O/c1-13-35-22(23-24(31)34-11-17(38(13)23)6-14-9-32-10-14)15-4-5-37-20(12-33-21(37)7-15)25(39)36-19-8-16(26(28,29)30)2-3-18(19)27/h2-5,7-8,11-12,14,32H,6,9-10H2,1H3,(H2,31,34)(H,36,39).
What are the key properties of 7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 538.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-amino-5-(azetidin-3-ylmethyl)-3-methylimidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178092901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).