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

C22H20F2N4O4S — CID 118321203

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1nc(CO)cs1
InChIInChI=1S/C22H20F2N4O4S/c1-12-19(21(31)27-17(9-30)22-26-13(8-29)11-33-22)28-7-3-6-18(20(28)25-12)32-10-14-15(23)4-2-5-16(14)24/h2-7,11,17,29-30H,8-10H2,1H3,(H,27,31)
InChIKeyWXZNDKACJKHTAG-UHFFFAOYSA-N
MW474.49 g/mol
LogP2.91
Rot. Bonds8

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

8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118321203) has the molecular formula C22H20F2N4O4S and a molecular weight of 474.49 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-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-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118321203
Molecular FormulaC22H20F2N4O4S
Molecular Weight474.49 g/mol
Exact Mass474.12
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1nc(CO)cs1
InChIInChI=1S/C22H20F2N4O4S/c1-12-19(21(31)27-17(9-30)22-26-13(8-29)11-33-22)28-7-3-6-18(20(28)25-12)32-10-14-15(23)4-2-5-16(14)24/h2-7,11,17,29-30H,8-10H2,1H3,(H,27,31)
InChIKeyWXZNDKACJKHTAG-UHFFFAOYSA-N
XLogP2.91
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(7R,11R)-8-ethyl-3-methoxy-7-methyl-11-(2-methyl-1,3-thiazol-5-yl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 167047234
N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
CID 46942725
2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948440
8-[(2,6-difluorobenzyl)oxy]-N-{(2R)-2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1-hydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 74763521
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxy-2-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321196
7-(2-Hydroxyethylcarbamoyl)-1-(2-methoxyphenyl)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-4-ium-2-thiolate
CID 6842990
8-[(2,6-Difluorobenzyl)oxy]-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 74222718
N-[(2R)-1-Aminohexan-2-yl]-8-[(2,6-difluorobenzyl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 76071820
rac-N-[2-Amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorobenzyl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717945
N-(2-Amino-2-methylpropyl)-8-[(2,6-difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717963
N-(2-Amino-2-ethylbutyl)-8-[(2,6-difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717988
8-(benzyloxy)-N-[(2R)-1-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86718177

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-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-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118321203) is 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)c1nc(CO)cs1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WXZNDKACJKHTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O4S/c1-12-19(21(31)27-17(9-30)22-26-13(8-29)11-33-22)28-7-3-6-18(20(28)25-12)32-10-14-15(23)4-2-5-16(14)24/h2-7,11,17,29-30H,8-10H2,1H3,(H,27,31).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[2-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118321203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).