tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate

C24H29ClN4O4 — CID 135281295

IUPACtert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H29ClN4O4/c1-24(2,3)33-23(30)28-10-8-27(9-11-28)16-6-7-29-15-19(26-22(29)12-16)17-13-18(25)21(32-5)14-20(17)31-4/h6-7,12-15H,8-11H2,1-5H3
InChIKeyBPLJKOTWOWBMOH-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.73
Rot. Bonds4

About tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate

tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate (PubChem CID 135281295) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
PubChem CID135281295
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Nametert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H29ClN4O4/c1-24(2,3)33-23(30)28-10-8-27(9-11-28)16-6-7-29-15-19(26-22(29)12-16)17-13-18(25)21(32-5)14-20(17)31-4/h6-7,12-15H,8-11H2,1-5H3
InChIKeyBPLJKOTWOWBMOH-UHFFFAOYSA-N
XLogP4.73
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate (CID 135281295) is tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate is COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
The InChIKey is BPLJKOTWOWBMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-24(2,3)33-23(30)28-10-8-27(9-11-28)16-6-7-29-15-19(26-22(29)12-16)17-13-18(25)21(32-5)14-20(17)31-4/h6-7,12-15H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate has a molecular weight of 472.97 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 135281295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).