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

C22H18F2N8OS — CID 118168560

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H18F2N8OS/c1-12-3-4-19(34-12)17-9-27-21-16(32-18(20(23)24)10-29-30-32)5-15(11-31(17)21)22(33)28-8-14-6-25-13(2)26-7-14/h3-7,9-11,20H,8H2,1-2H3,(H,28,33)
InChIKeyFMRAVWVUXOPDTQ-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.92
Rot. Bonds6

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

8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168560) has the molecular formula C22H18F2N8OS and a molecular weight of 480.50 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-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)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168560
Molecular FormulaC22H18F2N8OS
Molecular Weight480.50 g/mol
Exact Mass480.13
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C22H18F2N8OS/c1-12-3-4-19(34-12)17-9-27-21-16(32-18(20(23)24)10-29-30-32)5-15(11-31(17)21)22(33)28-8-14-6-25-13(2)26-7-14/h3-7,9-11,20H,8H2,1-2H3,(H,28,33)
InChIKeyFMRAVWVUXOPDTQ-UHFFFAOYSA-N
XLogP3.92
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)triazol-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)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168560) is 8-[5-(difluoromethyl)triazol-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)triazol-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)triazol-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(-n3nncc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FMRAVWVUXOPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N8OS/c1-12-3-4-19(34-12)17-9-27-21-16(32-18(20(23)24)10-29-30-32)5-15(11-31(17)21)22(33)28-8-14-6-25-13(2)26-7-14/h3-7,9-11,20H,8H2,1-2H3,(H,28,33).
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)triazol-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 480.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)triazol-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 118168560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).