(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide

C22H20ClFN6O3 — CID 45381992

IUPAC(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Oc1ccc(Nc2ncc(Cl)c(-c3cnc4c(F)cccn34)n2)c(OC)c1
InChIInChI=1S/C22H20ClFN6O3/c1-12(21(31)25-2)33-13-6-7-16(18(9-13)32-3)28-22-27-10-14(23)19(29-22)17-11-26-20-15(24)5-4-8-30(17)20/h4-12H,1-3H3,(H,25,31)(H,27,28,29)/t12-/m1/s1
InChIKeyYHLHYHZJAWTCDP-GFCCVEGCSA-N
MW470.89 g/mol
LogP3.85
Rot. Bonds7

About (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide

(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide (PubChem CID 45381992) has the molecular formula C22H20ClFN6O3 and a molecular weight of 470.89 g/mol. Its IUPAC name is (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide
PubChem CID45381992
Molecular FormulaC22H20ClFN6O3
Molecular Weight470.89 g/mol
Exact Mass470.13
IUPAC Name(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Oc1ccc(Nc2ncc(Cl)c(-c3cnc4c(F)cccn34)n2)c(OC)c1
InChIInChI=1S/C22H20ClFN6O3/c1-12(21(31)25-2)33-13-6-7-16(18(9-13)32-3)28-22-27-10-14(23)19(29-22)17-11-26-20-15(24)5-4-8-30(17)20/h4-12H,1-3H3,(H,25,31)(H,27,28,29)/t12-/m1/s1
InChIKeyYHLHYHZJAWTCDP-GFCCVEGCSA-N
XLogP3.85
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide with MolForge

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Related Compounds

(2S)-1-[7-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-hydroxypropan-1-one
CID 59291047
1-[4-[4-[[5-cyclopropyl-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone
CID 59291139
1-[8-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-6-oxa-3,8-diazabicyclo[3.2.2]nonan-3-yl]-2-(dimethylamino)ethanone
CID 91527979
1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol
CID 68608177
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propanamide
CID 91082116
4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 45381642
2-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methylamino]ethanol
CID 68593290
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167
N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol
CID 68592884
[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 156865453
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-fluoro-5-methoxyphenyl]piperazin-1-yl]ethanone
CID 45380508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide (CID 45381992) is (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide is CNC(=O)[C@@H](C)Oc1ccc(Nc2ncc(Cl)c(-c3cnc4c(F)cccn34)n2)c(OC)c1.
What is the InChIKey of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
The InChIKey is YHLHYHZJAWTCDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20ClFN6O3/c1-12(21(31)25-2)33-13-6-7-16(18(9-13)32-3)28-22-27-10-14(23)19(29-22)17-11-26-20-15(24)5-4-8-30(17)20/h4-12H,1-3H3,(H,25,31)(H,27,28,29)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide has a molecular weight of 470.89 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide is sourced from PubChem (CID 45381992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).