tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate

C23H25FN4O3 — CID 162759494

IUPACtert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C23H25FN4O3/c1-23(2,3)31-22(30)26-11-13-6-4-5-7-15(13)14-8-9-18-27-21(25)19(28(18)12-14)20(29)16-10-17(16)24/h4-9,12,16-17H,10-11,25H2,1-3H3,(H,26,30)/t16-,17+/m1/s1
InChIKeyZPWJOMYEILYWHW-SJORKVTESA-N
MW424.48 g/mol
LogP4.15
Rot. Bonds5

About tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate

tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate (PubChem CID 162759494) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate
PubChem CID162759494
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Nametert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C23H25FN4O3/c1-23(2,3)31-22(30)26-11-13-6-4-5-7-15(13)14-8-9-18-27-21(25)19(28(18)12-14)20(29)16-10-17(16)24/h4-9,12,16-17H,10-11,25H2,1-3H3,(H,26,30)/t16-,17+/m1/s1
InChIKeyZPWJOMYEILYWHW-SJORKVTESA-N
XLogP4.15
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate with MolForge

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Related Compounds

[2-amino-6-(1H-indol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2-fluorocyclopropyl)methanone
CID 162759360
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 162759458
tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
CID 163257034
methyl 3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoate
CID 68634329
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
2-(aminomethyl)aniline;tert-butyl N-[(2-aminophenyl)methyl]carbamate
CID 159590689
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68925073
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate (CID 162759494) is tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1.
What is the InChIKey of tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate?
The InChIKey is ZPWJOMYEILYWHW-SJORKVTESA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-23(2,3)31-22(30)26-11-13-6-4-5-7-15(13)14-8-9-18-27-21(25)19(28(18)12-14)20(29)16-10-17(16)24/h4-9,12,16-17H,10-11,25H2,1-3H3,(H,26,30)/t16-,17+/m1/s1.
What are the key properties of tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate?
tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate has a molecular weight of 424.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 162759494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).