2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol

C22H20F3N3O2S — CID 118235504

IUPAC2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)s3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H20F3N3O2S/c1-12-16(8-13-6-4-5-7-17(13)30-21(24)25)28-11-14(15(23)9-19(28)27-12)18-10-26-20(31-18)22(2,3)29/h4-7,9-11,21,29H,8H2,1-3H3
InChIKeyKBVAZSZLZBOOOP-UHFFFAOYSA-N
MW447.48 g/mol
LogP5.32
Rot. Bonds6

About 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol

2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 118235504) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID118235504
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC Name2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)s3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H20F3N3O2S/c1-12-16(8-13-6-4-5-7-17(13)30-21(24)25)28-11-14(15(23)9-19(28)27-12)18-10-26-20(31-18)22(2,3)29/h4-7,9-11,21,29H,8H2,1-3H3
InChIKeyKBVAZSZLZBOOOP-UHFFFAOYSA-N
XLogP5.32
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
CID 156855139
(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-(2-aminoethyl)-4-(2-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093435
N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-4-[4-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]ethanone
CID 168284279
3-(4-Methoxyphenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 117769341
4-[5-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758933
US9670204, 72 N-(2-ethyl-6-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-4-(4-(trifluoromethoxy)phenyl)thiazol-2-amine
CID 117628331
US10738057, Example 21
CID 138562132
N,2-dimethyl-N-(thiophen-2-ylmethyl)-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyridin-3-amine
CID 49790895
3-(4-Methoxyphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 155554238

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol (CID 118235504) is 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol is Cc1nc2cc(F)c(-c3cnc(C(C)(C)O)s3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is KBVAZSZLZBOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c1-12-16(8-13-6-4-5-7-17(13)30-21(24)25)28-11-14(15(23)9-19(28)27-12)18-10-26-20(31-18)22(2,3)29/h4-7,9-11,21,29H,8H2,1-3H3.
What are the key properties of 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol?
2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 447.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 118235504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).