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

C23H27ClN4O5 — CID 140914471

IUPACtert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O5/c1-13(25-22(30)33-23(2,3)4)21(29)26-14-7-8-28-12-17(27-20(28)9-14)15-10-16(24)19(32-6)11-18(15)31-5/h7-13H,1-6H3,(H,25,30)(H,26,29)/t13-/m0/s1
InChIKeyQPMMNVRRNSHAEP-ZDUSSCGKSA-N
MW474.95 g/mol
LogP4.52
Rot. Bonds6

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

tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 140914471) has the molecular formula C23H27ClN4O5 and a molecular weight of 474.95 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID140914471
Molecular FormulaC23H27ClN4O5
Molecular Weight474.95 g/mol
Exact Mass474.17
IUPAC Nametert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O5/c1-13(25-22(30)33-23(2,3)4)21(29)26-14-7-8-28-12-17(27-20(28)9-14)15-10-16(24)19(32-6)11-18(15)31-5/h7-13H,1-6H3,(H,25,30)(H,26,29)/t13-/m0/s1
InChIKeyQPMMNVRRNSHAEP-ZDUSSCGKSA-N
XLogP4.52
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate (CID 140914471) is tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate is COc1cc(OC)c(-c2cn3ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl.
What is the InChIKey of tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is QPMMNVRRNSHAEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H27ClN4O5/c1-13(25-22(30)33-23(2,3)4)21(29)26-14-7-8-28-12-17(27-20(28)9-14)15-10-16(24)19(32-6)11-18(15)31-5/h7-13H,1-6H3,(H,25,30)(H,26,29)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 474.95 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 140914471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).