5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine

C22H22ClN7O — CID 45381801

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H22ClN7O/c1-31-19-12-15(29-10-7-24-8-11-29)5-6-17(19)27-22-26-13-16(23)21(28-22)18-14-25-20-4-2-3-9-30(18)20/h2-6,9,12-14,24H,7-8,10-11H2,1H3,(H,26,27,28)
InChIKeyWDDCSCYJPKDFON-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.61
Rot. Bonds5

About 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine (PubChem CID 45381801) has the molecular formula C22H22ClN7O and a molecular weight of 435.92 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
PubChem CID45381801
Molecular FormulaC22H22ClN7O
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H22ClN7O/c1-31-19-12-15(29-10-7-24-8-11-29)5-6-17(19)27-22-26-13-16(23)21(28-22)18-14-25-20-4-2-3-9-30(18)20/h2-6,9,12-14,24H,7-8,10-11H2,1H3,(H,26,27,28)
InChIKeyWDDCSCYJPKDFON-UHFFFAOYSA-N
XLogP3.61
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine (CID 45381801) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine is COc1cc(N2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The InChIKey is WDDCSCYJPKDFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O/c1-31-19-12-15(29-10-7-24-8-11-29)5-6-17(19)27-22-26-13-16(23)21(28-22)18-14-25-20-4-2-3-9-30(18)20/h2-6,9,12-14,24H,7-8,10-11H2,1H3,(H,26,27,28).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine has a molecular weight of 435.92 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 45381801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).