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

C23H22F2N4O3S — CID 118321176

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1csc(C(C)(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)n1
InChIInChI=1S/C23H22F2N4O3S/c1-13-11-33-22(26-13)23(3,12-30)28-21(31)19-14(2)27-20-18(8-5-9-29(19)20)32-10-15-16(24)6-4-7-17(15)25/h4-9,11,30H,10,12H2,1-3H3,(H,28,31)
InChIKeyLFYDJAJWZASUGB-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.90
Rot. Bonds7

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

8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118321176) has the molecular formula C23H22F2N4O3S and a molecular weight of 472.52 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118321176
Molecular FormulaC23H22F2N4O3S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1csc(C(C)(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)n1
InChIInChI=1S/C23H22F2N4O3S/c1-13-11-33-22(26-13)23(3,12-30)28-21(31)19-14(2)27-20-18(8-5-9-29(19)20)32-10-15-16(24)6-4-7-17(15)25/h4-9,11,30H,10,12H2,1-3H3,(H,28,31)
InChIKeyLFYDJAJWZASUGB-UHFFFAOYSA-N
XLogP3.90
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118321176) is 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1csc(C(C)(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)n1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LFYDJAJWZASUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3S/c1-13-11-33-22(26-13)23(3,12-30)28-21(31)19-14(2)27-20-18(8-5-9-29(19)20)32-10-15-16(24)6-4-7-17(15)25/h4-9,11,30H,10,12H2,1-3H3,(H,28,31).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 3.90, 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-[1-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118321176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).