1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone

C23H21ClN6O3 — CID 45381723

IUPAC1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone
SMILESCOc1cc(OC2CN(C(C)=O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H21ClN6O3/c1-14(31)29-12-16(13-29)33-15-6-7-18(20(9-15)32-2)27-23-26-10-17(24)22(28-23)19-11-25-21-5-3-4-8-30(19)21/h3-11,16H,12-13H2,1-2H3,(H,26,27,28)
InChIKeyHNUMAQXJLHNFCC-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.81
Rot. Bonds6

About 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone

1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone (PubChem CID 45381723) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone
PubChem CID45381723
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC Name1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone
SMILESCOc1cc(OC2CN(C(C)=O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H21ClN6O3/c1-14(31)29-12-16(13-29)33-15-6-7-18(20(9-15)32-2)27-23-26-10-17(24)22(28-23)19-11-25-21-5-3-4-8-30(19)21/h3-11,16H,12-13H2,1-2H3,(H,26,27,28)
InChIKeyHNUMAQXJLHNFCC-UHFFFAOYSA-N
XLogP3.81
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone with MolForge

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Related Compounds

9-Cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one
CID 56973724
1-(4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenoxy)piperidin-1-yl)ethanone
CID 45380893
4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazine-1-carboxamide
CID 45381640
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone
CID 53380818
1-[4-[4-[[5-Chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663313
1-(4-(4-(5-Chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
CID 56663314
1-[4-[4-[[5-Chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663315
1-[4-[4-[[5-Chloro-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56670168
1-[4-[4-[[5-Chloro-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56670170
1-[4-[4-[[5-Chloro-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56677003
1-[4-[4-[[4-(8-Aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56680335
1-[4-[4-[[5-Chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56680336

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone (CID 45381723) is 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone is COc1cc(OC2CN(C(C)=O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone?
The InChIKey is HNUMAQXJLHNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-14(31)29-12-16(13-29)33-15-6-7-18(20(9-15)32-2)27-23-26-10-17(24)22(28-23)19-11-25-21-5-3-4-8-30(19)21/h3-11,16H,12-13H2,1-2H3,(H,26,27,28).
What are the key properties of 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone?
1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone has a molecular weight of 464.91 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 45381723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).