5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C24H27ClN8O — CID 173096872

IUPAC5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCNCc1ccn2c(-c3nc(Nc4ccc(N5CCNCC5)cc4OC)ncc3Cl)cnc2c1
InChIInChI=1S/C24H27ClN8O/c1-26-13-16-5-8-33-20(15-28-22(33)11-16)23-18(25)14-29-24(31-23)30-19-4-3-17(12-21(19)34-2)32-9-6-27-7-10-32/h3-5,8,11-12,14-15,26-27H,6-7,9-10,13H2,1-2H3,(H,29,30,31)
InChIKeyKWGYXZHAWAIOGR-UHFFFAOYSA-N
MW478.99 g/mol
LogP3.33
Rot. Bonds7

About 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 173096872) has the molecular formula C24H27ClN8O and a molecular weight of 478.99 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID173096872
Molecular FormulaC24H27ClN8O
Molecular Weight478.99 g/mol
Exact Mass478.20
IUPAC Name5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCNCc1ccn2c(-c3nc(Nc4ccc(N5CCNCC5)cc4OC)ncc3Cl)cnc2c1
InChIInChI=1S/C24H27ClN8O/c1-26-13-16-5-8-33-20(15-28-22(33)11-16)23-18(25)14-29-24(31-23)30-19-4-3-17(12-21(19)34-2)32-9-6-27-7-10-32/h3-5,8,11-12,14-15,26-27H,6-7,9-10,13H2,1-2H3,(H,29,30,31)
InChIKeyKWGYXZHAWAIOGR-UHFFFAOYSA-N
XLogP3.33
TPSA91.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.99
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 173096872) is 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CNCc1ccn2c(-c3nc(Nc4ccc(N5CCNCC5)cc4OC)ncc3Cl)cnc2c1.
What is the InChIKey of 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is KWGYXZHAWAIOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O/c1-26-13-16-5-8-33-20(15-28-22(33)11-16)23-18(25)14-29-24(31-23)30-19-4-3-17(12-21(19)34-2)32-9-6-27-7-10-32/h3-5,8,11-12,14-15,26-27H,6-7,9-10,13H2,1-2H3,(H,29,30,31).
What are the key properties of 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 478.99 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 173096872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).