tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate

C23H32N6O3 — CID 177367230

IUPACtert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate
SMILESC=Cc1cnc2c(N)cc(-c3cnn(C)c3O[C@@H](C)CN(CC)C(=O)OC(C)(C)C)cn12
InChIInChI=1S/C23H32N6O3/c1-8-17-11-25-20-19(24)10-16(14-29(17)20)18-12-26-27(7)21(18)31-15(3)13-28(9-2)22(30)32-23(4,5)6/h8,10-12,14-15H,1,9,13,24H2,2-7H3/t15-/m0/s1
InChIKeyUMUDNADOEQFHTL-HNNXBMFYSA-N
MW440.55 g/mol
LogP3.98
Rot. Bonds7

About tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate

tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate (PubChem CID 177367230) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate
PubChem CID177367230
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Nametert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate
SMILESC=Cc1cnc2c(N)cc(-c3cnn(C)c3O[C@@H](C)CN(CC)C(=O)OC(C)(C)C)cn12
InChIInChI=1S/C23H32N6O3/c1-8-17-11-25-20-19(24)10-16(14-29(17)20)18-12-26-27(7)21(18)31-15(3)13-28(9-2)22(30)32-23(4,5)6/h8,10-12,14-15H,1,9,13,24H2,2-7H3/t15-/m0/s1
InChIKeyUMUDNADOEQFHTL-HNNXBMFYSA-N
XLogP3.98
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-(3-ethenyl-1-iodophosphanylpyrazolo[3,4-b]pyridin-5-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 177342096
tert-butyl N-[(2S)-2-[3-(cyclopropyloxymethyl)-4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate
CID 177341858
N-[(2S)-2-[4-(3-ethenylimidazo[1,2-a]pyrazin-6-yl)-3-(methoxymethyl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 177367366
tert-butyl N-[(2R)-2-[4-(3-ethenyl-1-iodophosphanylpyrazolo[3,4-c]pyridin-5-yl)-1,3-dimethylpyrazol-5-yl]oxypropyl]-N-methylcarbamate;ethane
CID 172573383
tert-butyl N-[(2S)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)oxypropyl]-N-methylcarbamate
CID 177367276
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(2,2-difluoroethyl)-N-[(2S)-2-[2,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]oxypropyl]carbamate
CID 177367579
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
methyl 3-[1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-2-ethenylpenta-2,4-dienoate
CID 123356217
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-[(4-ethenyl-1,5-dimethylpyrazol-3-yl)methyl]-N-[2-[1-methyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]pyrazol-5-yl]oxyethyl]carbamate;ethane
CID 172573806

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate (CID 177367230) is tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate is C=Cc1cnc2c(N)cc(-c3cnn(C)c3O[C@@H](C)CN(CC)C(=O)OC(C)(C)C)cn12.
What is the InChIKey of tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate?
The InChIKey is UMUDNADOEQFHTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-8-17-11-25-20-19(24)10-16(14-29(17)20)18-12-26-27(7)21(18)31-15(3)13-28(9-2)22(30)32-23(4,5)6/h8,10-12,14-15H,1,9,13,24H2,2-7H3/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate?
tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate has a molecular weight of 440.55 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[4-(8-amino-3-ethenylimidazo[1,2-a]pyridin-6-yl)-1-methylpyrazol-5-yl]oxypropyl]-N-ethylcarbamate is sourced from PubChem (CID 177367230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).