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

C22H25ClN4O5 — CID 140914491

IUPACtert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3n2)cc1Cl
InChIInChI=1S/C22H25ClN4O5/c1-22(2,3)32-21(29)24-11-20(28)25-13-6-7-27-12-16(26-19(27)8-13)14-9-15(23)18(31-5)10-17(14)30-4/h6-10,12H,11H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyDTWVXWGAUGRXSD-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.14
Rot. Bonds6

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

tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate (PubChem CID 140914491) has the molecular formula C22H25ClN4O5 and a molecular weight of 460.92 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate
PubChem CID140914491
Molecular FormulaC22H25ClN4O5
Molecular Weight460.92 g/mol
Exact Mass460.15
IUPAC Nametert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3n2)cc1Cl
InChIInChI=1S/C22H25ClN4O5/c1-22(2,3)32-21(29)24-11-20(28)25-13-6-7-27-12-16(26-19(27)8-13)14-9-15(23)18(31-5)10-17(14)30-4/h6-10,12H,11H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyDTWVXWGAUGRXSD-UHFFFAOYSA-N
XLogP4.14
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate (CID 140914491) is tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate is COc1cc(OC)c(-c2cn3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3n2)cc1Cl.
What is the InChIKey of tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is DTWVXWGAUGRXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5/c1-22(2,3)32-21(29)24-11-20(28)25-13-6-7-27-12-16(26-19(27)8-13)14-9-15(23)18(31-5)10-17(14)30-4/h6-10,12H,11H2,1-5H3,(H,24,29)(H,25,28).
What are the key properties of tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 460.92 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 140914491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).