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

C22H17F3N8OS — CID 118168195

IUPACN-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H17F3N8OS/c1-12-3-4-18(35-12)17-9-28-20-16(33-19(10-30-31-33)22(23,24)25)5-15(11-32(17)20)21(34)29-8-14-6-26-13(2)27-7-14/h3-7,9-11H,8H2,1-2H3,(H,29,34)
InChIKeyZCAVBBLILHRXDM-UHFFFAOYSA-N
MW498.49 g/mol
LogP4.00
Rot. Bonds5

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

N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168195) has the molecular formula C22H17F3N8OS and a molecular weight of 498.49 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-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-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168195
Molecular FormulaC22H17F3N8OS
Molecular Weight498.49 g/mol
Exact Mass498.12
IUPAC NameN-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H17F3N8OS/c1-12-3-4-18(35-12)17-9-28-20-16(33-19(10-30-31-33)22(23,24)25)5-15(11-32(17)20)21(34)29-8-14-6-26-13(2)27-7-14/h3-7,9-11H,8H2,1-2H3,(H,29,34)
InChIKeyZCAVBBLILHRXDM-UHFFFAOYSA-N
XLogP4.00
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-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-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168195) is N-[(2-methylpyrimidin-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-methylpyrimidin-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-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZCAVBBLILHRXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N8OS/c1-12-3-4-18(35-12)17-9-28-20-16(33-19(10-30-31-33)22(23,24)25)5-15(11-32(17)20)21(34)29-8-14-6-26-13(2)27-7-14/h3-7,9-11H,8H2,1-2H3,(H,29,34).
What are the key properties of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(2-methylpyrimidin-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 498.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-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 118168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).