1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol

C26H30ClN7O3 — CID 135281272

IUPAC1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(NCC(C)O)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H30ClN7O3/c1-17(35)15-29-26-28-6-4-24(31-26)33-10-8-32(9-11-33)18-5-7-34-16-21(30-25(34)12-18)19-13-20(27)23(37-3)14-22(19)36-2/h4-7,12-14,16-17,35H,8-11,15H2,1-3H3,(H,28,29,31)
InChIKeyKIDMWUJRGCYEGZ-UHFFFAOYSA-N
MW524.03 g/mol
LogP3.58
Rot. Bonds8

About 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol

1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 135281272) has the molecular formula C26H30ClN7O3 and a molecular weight of 524.03 g/mol. Its IUPAC name is 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
PubChem CID135281272
Molecular FormulaC26H30ClN7O3
Molecular Weight524.03 g/mol
Exact Mass523.21
IUPAC Name1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(NCC(C)O)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H30ClN7O3/c1-17(35)15-29-26-28-6-4-24(31-26)33-10-8-32(9-11-33)18-5-7-34-16-21(30-25(34)12-18)19-13-20(27)23(37-3)14-22(19)36-2/h4-7,12-14,16-17,35H,8-11,15H2,1-3H3,(H,28,29,31)
InChIKeyKIDMWUJRGCYEGZ-UHFFFAOYSA-N
XLogP3.58
TPSA100.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.03
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol (CID 135281272) is 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(NCC(C)O)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is KIDMWUJRGCYEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O3/c1-17(35)15-29-26-28-6-4-24(31-26)33-10-8-32(9-11-33)18-5-7-34-16-21(30-25(34)12-18)19-13-20(27)23(37-3)14-22(19)36-2/h4-7,12-14,16-17,35H,8-11,15H2,1-3H3,(H,28,29,31).
What are the key properties of 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 524.03 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 135281272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).