tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate

C24H29ClN4O4 — CID 135335211

IUPACtert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)cc3n2)cc1Cl
InChIInChI=1S/C24H29ClN4O4/c1-24(2,3)33-23(30)26-15-6-8-28(13-15)16-7-9-29-14-19(27-22(29)10-16)17-11-18(25)21(32-5)12-20(17)31-4/h7,9-12,14-15H,6,8,13H2,1-5H3,(H,26,30)
InChIKeyLLDZQCWVZOBNGL-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate (PubChem CID 135335211) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate
PubChem CID135335211
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Nametert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)cc3n2)cc1Cl
InChIInChI=1S/C24H29ClN4O4/c1-24(2,3)33-23(30)26-15-6-8-28(13-15)16-7-9-29-14-19(27-22(29)10-16)17-11-18(25)21(32-5)12-20(17)31-4/h7,9-12,14-15H,6,8,13H2,1-5H3,(H,26,30)
InChIKeyLLDZQCWVZOBNGL-UHFFFAOYSA-N
XLogP4.78
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate (CID 135335211) is tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate is COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)cc3n2)cc1Cl.
What is the InChIKey of tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is LLDZQCWVZOBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-24(2,3)33-23(30)26-15-6-8-28(13-15)16-7-9-29-14-19(27-22(29)10-16)17-11-18(25)21(32-5)12-20(17)31-4/h7,9-12,14-15H,6,8,13H2,1-5H3,(H,26,30).
What are the key properties of tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 472.97 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 135335211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).