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

C21H17F2N9OS — CID 118168323

IUPAC8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4cnc(C)s4)n3c2)cn1
InChIInChI=1S/C21H17F2N9OS/c1-11-24-4-13(5-25-11)6-28-21(33)14-3-15(32-17(19(22)23)8-29-30-32)20-27-7-16(31(20)10-14)18-9-26-12(2)34-18/h3-5,7-10,19H,6H2,1-2H3,(H,28,33)
InChIKeyQAYSPZIPFBDCCE-UHFFFAOYSA-N
MW481.49 g/mol
LogP3.31
Rot. Bonds6

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

8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168323) has the molecular formula C21H17F2N9OS and a molecular weight of 481.49 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168323
Molecular FormulaC21H17F2N9OS
Molecular Weight481.49 g/mol
Exact Mass481.12
IUPAC Name8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4cnc(C)s4)n3c2)cn1
InChIInChI=1S/C21H17F2N9OS/c1-11-24-4-13(5-25-11)6-28-21(33)14-3-15(32-17(19(22)23)8-29-30-32)20-27-7-16(31(20)10-14)18-9-26-12(2)34-18/h3-5,7-10,19H,6H2,1-2H3,(H,28,33)
InChIKeyQAYSPZIPFBDCCE-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)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168323) is 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ncc(CNC(=O)c2cc(-n3nncc3C(F)F)c3ncc(-c4cnc(C)s4)n3c2)cn1.
What is the InChIKey of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is QAYSPZIPFBDCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N9OS/c1-11-24-4-13(5-25-11)6-28-21(33)14-3-15(32-17(19(22)23)8-29-30-32)20-27-7-16(31(20)10-14)18-9-26-12(2)34-18/h3-5,7-10,19H,6H2,1-2H3,(H,28,33).
What are the key properties of 8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-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)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).