tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate

C24H31FN6O3 — CID 170743449

IUPACtert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate
SMILESCOc1cc(F)cc(C)c1-c1nc2nc(N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cnc2n1C
InChIInChI=1S/C24H31FN6O3/c1-14-10-15(25)11-17(33-7)19(14)21-28-20-22(30(21)6)26-12-18(27-20)29(5)16-8-9-31(13-16)23(32)34-24(2,3)4/h10-12,16H,8-9,13H2,1-7H3/t16-/m1/s1
InChIKeyKFTPYFHFAKHYEW-MRXNPFEDSA-N
MW470.55 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate (PubChem CID 170743449) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate
PubChem CID170743449
Molecular FormulaC24H31FN6O3
Molecular Weight470.55 g/mol
Exact Mass470.24
IUPAC Nametert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate
SMILESCOc1cc(F)cc(C)c1-c1nc2nc(N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cnc2n1C
InChIInChI=1S/C24H31FN6O3/c1-14-10-15(25)11-17(33-7)19(14)21-28-20-22(30(21)6)26-12-18(27-20)29(5)16-8-9-31(13-16)23(32)34-24(2,3)4/h10-12,16H,8-9,13H2,1-7H3/t16-/m1/s1
InChIKeyKFTPYFHFAKHYEW-MRXNPFEDSA-N
XLogP3.93
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-[methyl(quinoxalin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71646691
tert-butyl (3R)-3-[methyl-(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646670
methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 163389430
tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71647115
tert-butyl 3-[(5-bromo-2-pyridinyl)-methylamino]pyrrolidine-1-carboxylate
CID 71647100
tert-butyl 3-[(6-methoxyquinolin-3-yl)-methylamino]pyrrolidine-1-carboxylate
CID 175300918
tert-butyl (3R)-3-[(2-chloropyrimidin-4-yl)-methylamino]pyrrolidine-1-carboxylate
CID 71646667
tert-butyl (3S)-3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 99906455
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-3-methyl-4-oxopyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carboxylate
CID 171085754
tert-butyl (3S)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]piperidine-1-carboxylate
CID 71646723
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
tert-butyl 4-hydroxy-3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085626

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate (CID 170743449) is tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate is COc1cc(F)cc(C)c1-c1nc2nc(N(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cnc2n1C.
What is the InChIKey of tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate?
The InChIKey is KFTPYFHFAKHYEW-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-14-10-15(25)11-17(33-7)19(14)21-28-20-22(30(21)6)26-12-18(27-20)29(5)16-8-9-31(13-16)23(32)34-24(2,3)4/h10-12,16H,8-9,13H2,1-7H3/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[2-(4-fluoro-2-methoxy-6-methylphenyl)-1-methylimidazo[4,5-b]pyrazin-5-yl]-methylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 170743449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).