[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol

C24H22F3N5O3 — CID 118235493

IUPAC[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol
SMILESOCc1nc2cc(F)c(-c3cnc(N4CCOCC4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C24H22F3N5O3/c25-18-10-22-30-19(14-33)20(9-15-3-1-2-4-21(15)35-23(26)27)32(22)13-17(18)16-11-28-24(29-12-16)31-5-7-34-8-6-31/h1-4,10-13,23,33H,5-9,14H2
InChIKeyPHAQKEMSXJUAMC-UHFFFAOYSA-N
MW485.47 g/mol
LogP3.45
Rot. Bonds7

About [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol

[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 118235493) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID118235493
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol
SMILESOCc1nc2cc(F)c(-c3cnc(N4CCOCC4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C24H22F3N5O3/c25-18-10-22-30-19(14-33)20(9-15-3-1-2-4-21(15)35-23(26)27)32(22)13-17(18)16-11-28-24(29-12-16)31-5-7-34-8-6-31/h1-4,10-13,23,33H,5-9,14H2
InChIKeyPHAQKEMSXJUAMC-UHFFFAOYSA-N
XLogP3.45
TPSA85.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-(methoxymethyl)-6-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridine
CID 118235793
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
4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 118235421
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
(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]-2,7-dimethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 72720693
5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 118235870
sodium 1-[5-[7-chloro-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
CID 118235638
3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[4.1.0]heptane-7-carboxylic acid
CID 118235556
3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 140680535
3-[3-(difluoromethoxy)phenyl]-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152488
6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine
CID 118235830

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol (CID 118235493) is [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol is OCc1nc2cc(F)c(-c3cnc(N4CCOCC4)nc3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is PHAQKEMSXJUAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-18-10-22-30-19(14-33)20(9-15-3-1-2-4-21(15)35-23(26)27)32(22)13-17(18)16-11-28-24(29-12-16)31-5-7-34-8-6-31/h1-4,10-13,23,33H,5-9,14H2.
What are the key properties of [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol?
[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 485.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 118235493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).