1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol

C22H21ClN6O2 — CID 68594167

IUPAC1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
SMILESCOc1cc(CN2CC(O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H21ClN6O2/c1-31-19-8-14(11-28-12-15(30)13-28)5-6-17(19)26-22-25-9-16(23)21(27-22)18-10-24-20-4-2-3-7-29(18)20/h2-10,15,30H,11-13H2,1H3,(H,25,26,27)
InChIKeyOKPNXRUDMXYBJH-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.37
Rot. Bonds6

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

1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol (PubChem CID 68594167) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
PubChem CID68594167
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
SMILESCOc1cc(CN2CC(O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H21ClN6O2/c1-31-19-8-14(11-28-12-15(30)13-28)5-6-17(19)26-22-25-9-16(23)21(27-22)18-10-24-20-4-2-3-7-29(18)20/h2-10,15,30H,11-13H2,1H3,(H,25,26,27)
InChIKeyOKPNXRUDMXYBJH-UHFFFAOYSA-N
XLogP3.37
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methylamino]ethanol
CID 68593290
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
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
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
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-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 68593342
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]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide
CID 73291995
1-[4-[4-[[5-chloro-4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 59291147
4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 68593439

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol (CID 68594167) is 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol is COc1cc(CN2CC(O)C2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol?
The InChIKey is OKPNXRUDMXYBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-31-19-8-14(11-28-12-15(30)13-28)5-6-17(19)26-22-25-9-16(23)21(27-22)18-10-24-20-4-2-3-7-29(18)20/h2-10,15,30H,11-13H2,1H3,(H,25,26,27).
What are the key properties of 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol?
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol has a molecular weight of 436.90 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 68594167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).