1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol

C24H19F6N5O3 — CID 145208902

IUPAC1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol
SMILESCc1nc2cc(F)c(-c3cnc(N4CC(O)(C(F)(F)F)C4)nc3)cn2c1[C@H](O)c1ccccc1OC(F)F
InChIInChI=1S/C24H19F6N5O3/c1-12-19(20(36)14-4-2-3-5-17(14)38-21(26)27)35-9-15(16(25)6-18(35)33-12)13-7-31-22(32-8-13)34-10-23(37,11-34)24(28,29)30/h2-9,20-21,36-37H,10-11H2,1H3/t20-/m1/s1
InChIKeyVQEIRRLURBLUOL-HXUWFJFHSA-N
MW539.44 g/mol
LogP4.04
Rot. Bonds6

About 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol

1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 145208902) has the molecular formula C24H19F6N5O3 and a molecular weight of 539.44 g/mol. Its IUPAC name is 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol
PubChem CID145208902
Molecular FormulaC24H19F6N5O3
Molecular Weight539.44 g/mol
Exact Mass539.14
IUPAC Name1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol
SMILESCc1nc2cc(F)c(-c3cnc(N4CC(O)(C(F)(F)F)C4)nc3)cn2c1[C@H](O)c1ccccc1OC(F)F
InChIInChI=1S/C24H19F6N5O3/c1-12-19(20(36)14-4-2-3-5-17(14)38-21(26)27)35-9-15(16(25)6-18(35)33-12)13-7-31-22(32-8-13)34-10-23(37,11-34)24(28,29)30/h2-9,20-21,36-37H,10-11H2,1H3/t20-/m1/s1
InChIKeyVQEIRRLURBLUOL-HXUWFJFHSA-N
XLogP4.04
TPSA96.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol with MolForge

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Related Compounds

(3R,5R)-3-[2-(difluoromethoxy)phenyl]-10-fluoro-11-[2-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]pyrimidin-5-yl]-5-methyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-ol
CID 118153444
[1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol
CID 118235677
[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 118235428
(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine
CID 158741310
ethyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]-hydroxymethyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
CID 118235760
(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 118235690
(1S,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 118235874
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
CID 118235823
tert-butyl 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-hydroxyazetidine-1-carboxylate
CID 131735247
sodium 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-(hydroxymethyl)piperidine-4-carboxylate
CID 118235787
[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol
CID 118235493
(3S,5S)-3-[2-(difluoromethoxy)-6-fluorophenyl]-10-fluoro-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-ol
CID 118153344

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol (CID 145208902) is 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol is Cc1nc2cc(F)c(-c3cnc(N4CC(O)(C(F)(F)F)C4)nc3)cn2c1[C@H](O)c1ccccc1OC(F)F.
What is the InChIKey of 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is VQEIRRLURBLUOL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H19F6N5O3/c1-12-19(20(36)14-4-2-3-5-17(14)38-21(26)27)35-9-15(16(25)6-18(35)33-12)13-7-31-22(32-8-13)34-10-23(37,11-34)24(28,29)30/h2-9,20-21,36-37H,10-11H2,1H3/t20-/m1/s1.
What are the key properties of 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol?
1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 539.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 145208902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).