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

C23H18F3N7OS — CID 118168201

IUPACN-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C23H18F3N7OS/c1-13-3-5-15(8-27-13)9-29-22(34)16-7-17(33-20(11-30-31-33)23(24,25)26)21-28-10-18(32(21)12-16)19-6-4-14(2)35-19/h3-8,10-12H,9H2,1-2H3,(H,29,34)
InChIKeyNPZLHSLTAMQJHA-UHFFFAOYSA-N
MW497.51 g/mol
LogP4.60
Rot. Bonds5

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

N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168201) has the molecular formula C23H18F3N7OS and a molecular weight of 497.51 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168201
Molecular FormulaC23H18F3N7OS
Molecular Weight497.51 g/mol
Exact Mass497.12
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C23H18F3N7OS/c1-13-3-5-15(8-27-13)9-29-22(34)16-7-17(33-20(11-30-31-33)23(24,25)26)21-28-10-18(32(21)12-16)19-6-4-14(2)35-19/h3-8,10-12H,9H2,1-2H3,(H,29,34)
InChIKeyNPZLHSLTAMQJHA-UHFFFAOYSA-N
XLogP4.60
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168201) is N-[(6-methyl-3-pyridinyl)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-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(CNC(=O)c2cc(-n3nncc3C(F)(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NPZLHSLTAMQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N7OS/c1-13-3-5-15(8-27-13)9-29-22(34)16-7-17(33-20(11-30-31-33)23(24,25)26)21-28-10-18(32(21)12-16)19-6-4-14(2)35-19/h3-8,10-12H,9H2,1-2H3,(H,29,34).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 497.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).