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

C21H16F3N9OS — CID 118168077

IUPACN-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C21H16F3N9OS/c1-11-4-29-20(35-11)16-8-27-18-15(33-17(9-30-31-33)21(22,23)24)3-14(10-32(16)18)19(34)28-7-13-5-25-12(2)26-6-13/h3-6,8-10H,7H2,1-2H3,(H,28,34)
InChIKeyYMBHXYZYGKNQFB-UHFFFAOYSA-N
MW499.48 g/mol
LogP3.39
Rot. Bonds5

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

N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168077) has the molecular formula C21H16F3N9OS and a molecular weight of 499.48 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168077
Molecular FormulaC21H16F3N9OS
Molecular Weight499.48 g/mol
Exact Mass499.12
IUPAC NameN-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ncc(C)s4)n3c2)cn1
InChIInChI=1S/C21H16F3N9OS/c1-11-4-29-20(35-11)16-8-27-18-15(33-17(9-30-31-33)21(22,23)24)3-14(10-32(16)18)19(34)28-7-13-5-25-12(2)26-6-13/h3-6,8-10H,7H2,1-2H3,(H,28,34)
InChIKeyYMBHXYZYGKNQFB-UHFFFAOYSA-N
XLogP3.39
TPSA115.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168077) is N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-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-methyl-1,3-thiazol-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(-c4ncc(C)s4)n3c2)cn1.
What is the InChIKey of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is YMBHXYZYGKNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N9OS/c1-11-4-29-20(35-11)16-8-27-18-15(33-17(9-30-31-33)21(22,23)24)3-14(10-32(16)18)19(34)28-7-13-5-25-12(2)26-6-13/h3-6,8-10H,7H2,1-2H3,(H,28,34).
What are the key properties of N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 499.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).