8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H20F2N4O3S — CID 118321197

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1csc(C(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)n1
InChIInChI=1S/C22H20F2N4O3S/c1-12-11-32-22(25-12)17(9-29)27-21(30)19-13(2)26-20-18(7-4-8-28(19)20)31-10-14-15(23)5-3-6-16(14)24/h3-8,11,17,29H,9-10H2,1-2H3,(H,27,30)
InChIKeyCORFSEXNVHNNMZ-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.73
Rot. Bonds7

About 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118321197) has the molecular formula C22H20F2N4O3S and a molecular weight of 458.49 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118321197
Molecular FormulaC22H20F2N4O3S
Molecular Weight458.49 g/mol
Exact Mass458.12
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1csc(C(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)n1
InChIInChI=1S/C22H20F2N4O3S/c1-12-11-32-22(25-12)17(9-29)27-21(30)19-13(2)26-20-18(7-4-8-28(19)20)31-10-14-15(23)5-3-6-16(14)24/h3-8,11,17,29H,9-10H2,1-2H3,(H,27,30)
InChIKeyCORFSEXNVHNNMZ-UHFFFAOYSA-N
XLogP3.73
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118321197) is 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1csc(C(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)n1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CORFSEXNVHNNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3S/c1-12-11-32-22(25-12)17(9-29)27-21(30)19-13(2)26-20-18(7-4-8-28(19)20)31-10-14-15(23)5-3-6-16(14)24/h3-8,11,17,29H,9-10H2,1-2H3,(H,27,30).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118321197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).