N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine

C21H19ClN6O2 — CID 45381546

IUPACN-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
SMILESCOc1cc(OC2CNC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C21H19ClN6O2/c1-29-18-8-13(30-14-9-23-10-14)5-6-16(18)26-21-25-11-15(22)20(27-21)17-12-24-19-4-2-3-7-28(17)19/h2-8,11-12,14,23H,9-10H2,1H3,(H,25,26,27)
InChIKeyVUOFCNLYVCPXKQ-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.55
Rot. Bonds6

About N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine

N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 45381546) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID45381546
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC NameN-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
SMILESCOc1cc(OC2CNC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C21H19ClN6O2/c1-29-18-8-13(30-14-9-23-10-14)5-6-16(18)26-21-25-11-15(22)20(27-21)17-12-24-19-4-2-3-7-28(17)19/h2-8,11-12,14,23H,9-10H2,1H3,(H,25,26,27)
InChIKeyVUOFCNLYVCPXKQ-UHFFFAOYSA-N
XLogP3.55
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyrimidine-2,4-diamine
CID 68166323
2-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
1-(4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenoxy)piperidin-1-yl)ethanone
CID 45380893
2-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)propane-1,3-diol
CID 56670457
N-(4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-methoxyphenyl)-5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 56670458
N-(4-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl)-2-methoxyphenyl)-5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 56670459
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 45380693
5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-(piperidin-4-yloxy)phenyl)pyrimidin-2-amine
CID 45380791
1-[3-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenoxy]azetidin-1-yl]ethanone
CID 45381723
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-yl-phenyl)pyrimidin-2-amine
CID 45381801
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 56663564

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine (CID 45381546) is N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine is COc1cc(OC2CNC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is VUOFCNLYVCPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-29-18-8-13(30-14-9-23-10-14)5-6-16(18)26-21-25-11-15(22)20(27-21)17-12-24-19-4-2-3-7-28(17)19/h2-8,11-12,14,23H,9-10H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 422.88 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 45381546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).