N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide

C24H19F3N8O2 — CID 45256457

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)c(-n3cc(-c4cnc5cnc(C)cn45)nn3)c2)cc1C(F)(F)F
InChIInChI=1S/C24H19F3N8O2/c1-13-11-34-20(9-30-22(34)10-28-13)18-12-35(33-32-18)19-6-15(8-29-14(19)2)23(36)31-16-4-5-21(37-3)17(7-16)24(25,26)27/h4-12H,1-3H3,(H,31,36)
InChIKeyQZFWZNFIBOLGMY-UHFFFAOYSA-N
MW508.46 g/mol
LogP4.27
Rot. Bonds5

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide (PubChem CID 45256457) has the molecular formula C24H19F3N8O2 and a molecular weight of 508.46 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide
PubChem CID45256457
Molecular FormulaC24H19F3N8O2
Molecular Weight508.46 g/mol
Exact Mass508.16
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)c(-n3cc(-c4cnc5cnc(C)cn45)nn3)c2)cc1C(F)(F)F
InChIInChI=1S/C24H19F3N8O2/c1-13-11-34-20(9-30-22(34)10-28-13)18-12-35(33-32-18)19-6-15(8-29-14(19)2)23(36)31-16-4-5-21(37-3)17(7-16)24(25,26)27/h4-12H,1-3H3,(H,31,36)
InChIKeyQZFWZNFIBOLGMY-UHFFFAOYSA-N
XLogP4.27
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide (CID 45256457) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cnc(C)c(-n3cc(-c4cnc5cnc(C)cn45)nn3)c2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide?
The InChIKey is QZFWZNFIBOLGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O2/c1-13-11-34-20(9-30-22(34)10-28-13)18-12-35(33-32-18)19-6-15(8-29-14(19)2)23(36)31-16-4-5-21(37-3)17(7-16)24(25,26)27/h4-12H,1-3H3,(H,31,36).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide has a molecular weight of 508.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 45256457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).