fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate

C21H19FN4O4 — CID 162759458

IUPACfluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2ccc3nc(N)c(C(=O)OF)n3c2)c2ccccc21
InChIInChI=1S/C21H19FN4O4/c1-21(2,3)29-20(28)25-11-14(13-6-4-5-7-15(13)25)12-8-9-16-24-18(23)17(19(27)30-22)26(16)10-12/h4-11H,23H2,1-3H3
InChIKeyXTSGOHMXQKKDCT-UHFFFAOYSA-N
MW410.41 g/mol
LogP4.36
Rot. Bonds2

About fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate

fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 162759458) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namefluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID162759458
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Namefluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2ccc3nc(N)c(C(=O)OF)n3c2)c2ccccc21
InChIInChI=1S/C21H19FN4O4/c1-21(2,3)29-20(28)25-11-14(13-6-4-5-7-15(13)25)12-8-9-16-24-18(23)17(19(27)30-22)26(16)10-12/h4-11H,23H2,1-3H3
InChIKeyXTSGOHMXQKKDCT-UHFFFAOYSA-N
XLogP4.36
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(3,5-ditert-butylphenyl)indole-1-carboxylate
CID 175951991
tert-butyl 3-(3-phenylphenyl)indole-1-carboxylate
CID 150096513
tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate
CID 162759363
tert-butyl 3-[5-(2,2-difluoro-3-oxopropanoyl)furan-3-yl]indole-1-carboxylate
CID 167219665
tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate
CID 10979418
tert-butyl 3-(2-chloropyrimidin-4-yl)indole-1-carboxylate
CID 156694217
CID 163971727
CID 163971727
tert-butyl 3-(fluoromethylselanyl)indole-1-carboxylate
CID 175842843
tert-butyl 3-(2-chlorothiophen-3-yl)indole-1-carboxylate
CID 135380466
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl N-[[2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]carbamate
CID 162759494
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273

Frequently Asked Questions

What is the IUPAC name of fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 162759458) is fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate is CC(C)(C)OC(=O)n1cc(-c2ccc3nc(N)c(C(=O)OF)n3c2)c2ccccc21.
What is the InChIKey of fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is XTSGOHMXQKKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-21(2,3)29-20(28)25-11-14(13-6-4-5-7-15(13)25)12-8-9-16-24-18(23)17(19(27)30-22)26(16)10-12/h4-11H,23H2,1-3H3.
What are the key properties of fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate?
fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 410.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 162759458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).