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

C22H18F2N8O2S — CID 118167985

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H18F2N8O2S/c1-12-3-4-18(35-12)16-9-25-20-15(32-17(19(23)24)10-29-30-32)5-14(11-31(16)20)21(33)26-6-13-7-27-22(34-2)28-8-13/h3-5,7-11,19H,6H2,1-2H3,(H,26,33)
InChIKeyLJVJVLKCERFCIP-UHFFFAOYSA-N
MW496.50 g/mol
LogP3.62
Rot. Bonds7

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

8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118167985) has the molecular formula C22H18F2N8O2S and a molecular weight of 496.50 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118167985
Molecular FormulaC22H18F2N8O2S
Molecular Weight496.50 g/mol
Exact Mass496.12
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H18F2N8O2S/c1-12-3-4-18(35-12)16-9-25-20-15(32-17(19(23)24)10-29-30-32)5-14(11-31(16)20)21(33)26-6-13-7-27-22(34-2)28-8-13/h3-5,7-11,19H,6H2,1-2H3,(H,26,33)
InChIKeyLJVJVLKCERFCIP-UHFFFAOYSA-N
XLogP3.62
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118167985) is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is COc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LJVJVLKCERFCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N8O2S/c1-12-3-4-18(35-12)16-9-25-20-15(32-17(19(23)24)10-29-30-32)5-14(11-31(16)20)21(33)26-6-13-7-27-22(34-2)28-8-13/h3-5,7-11,19H,6H2,1-2H3,(H,26,33).
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118167985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).