N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

C22H17F3N8O2S — CID 118168527

IUPACN-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H17F3N8O2S/c1-12-3-4-17(36-12)16-9-26-19-15(33-18(10-30-31-33)22(23,24)25)5-14(11-32(16)19)20(34)27-6-13-7-28-21(35-2)29-8-13/h3-5,7-11H,6H2,1-2H3,(H,27,34)
InChIKeyNIJLQQIWTBFCBT-UHFFFAOYSA-N
MW514.49 g/mol
LogP3.70
Rot. Bonds6

About N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168527) has the molecular formula C22H17F3N8O2S and a molecular weight of 514.49 g/mol. Its IUPAC name is N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168527
Molecular FormulaC22H17F3N8O2S
Molecular Weight514.49 g/mol
Exact Mass514.11
IUPAC NameN-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H17F3N8O2S/c1-12-3-4-17(36-12)16-9-26-19-15(33-18(10-30-31-33)22(23,24)25)5-14(11-32(16)19)20(34)27-6-13-7-28-21(35-2)29-8-13/h3-5,7-11H,6H2,1-2H3,(H,27,34)
InChIKeyNIJLQQIWTBFCBT-UHFFFAOYSA-N
XLogP3.70
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide 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 N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168527) is N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is COc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NIJLQQIWTBFCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N8O2S/c1-12-3-4-17(36-12)16-9-26-19-15(33-18(10-30-31-33)22(23,24)25)5-14(11-32(16)19)20(34)27-6-13-7-28-21(35-2)29-8-13/h3-5,7-11H,6H2,1-2H3,(H,27,34).
What are the key properties of N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 514.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).