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

C21H17F2N9OS — CID 118168144

IUPAC8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C21H17F2N9OS/c1-11-3-4-17(34-11)16-9-26-19-15(32-20(18(22)23)28-29-30-32)5-14(10-31(16)19)21(33)27-8-13-6-24-12(2)25-7-13/h3-7,9-10,18H,8H2,1-2H3,(H,27,33)
InChIKeyGALMINLTKCIOQK-UHFFFAOYSA-N
MW481.49 g/mol
LogP3.31
Rot. Bonds6

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

8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168144) has the molecular formula C21H17F2N9OS and a molecular weight of 481.49 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168144
Molecular FormulaC21H17F2N9OS
Molecular Weight481.49 g/mol
Exact Mass481.12
IUPAC Name8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C21H17F2N9OS/c1-11-3-4-17(34-11)16-9-26-19-15(32-20(18(22)23)28-29-30-32)5-14(10-31(16)19)21(33)27-8-13-6-24-12(2)25-7-13/h3-7,9-10,18H,8H2,1-2H3,(H,27,33)
InChIKeyGALMINLTKCIOQK-UHFFFAOYSA-N
XLogP3.31
TPSA115.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168144) is 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc(CNC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GALMINLTKCIOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N9OS/c1-11-3-4-17(34-11)16-9-26-19-15(32-20(18(22)23)28-29-30-32)5-14(10-31(16)19)21(33)27-8-13-6-24-12(2)25-7-13/h3-7,9-10,18H,8H2,1-2H3,(H,27,33).
What are the key properties of 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).