tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate

C18H28N4O5 — CID 86315889

IUPACtert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate
SMILESCN1c2ncc(CNC(=O)OC(C)(C)C)cc2N(C(=O)OC(C)(C)C)[C@@H]1O
InChIInChI=1S/C18H28N4O5/c1-17(2,3)26-14(23)20-10-11-8-12-13(19-9-11)21(7)15(24)22(12)16(25)27-18(4,5)6/h8-9,15,24H,10H2,1-7H3,(H,20,23)/t15-/m1/s1
InChIKeyXUHDIUAWLWAPDH-OAHLLOKOSA-N
MW380.45 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate

tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate (PubChem CID 86315889) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate
PubChem CID86315889
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Nametert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate
SMILESCN1c2ncc(CNC(=O)OC(C)(C)C)cc2N(C(=O)OC(C)(C)C)[C@@H]1O
InChIInChI=1S/C18H28N4O5/c1-17(2,3)26-14(23)20-10-11-8-12-13(19-9-11)21(7)15(24)22(12)16(25)27-18(4,5)6/h8-9,15,24H,10H2,1-7H3,(H,20,23)/t15-/m1/s1
InChIKeyXUHDIUAWLWAPDH-OAHLLOKOSA-N
XLogP2.57
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[[6-(4-acetylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]carbamate
CID 102544956
tert-butyl N-[(2-cyanopyrimidin-5-yl)methyl]carbamate
CID 22476025
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102546803
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate
CID 102544684
2-[4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 146223714
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
CID 122714734
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate (CID 86315889) is tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate is CN1c2ncc(CNC(=O)OC(C)(C)C)cc2N(C(=O)OC(C)(C)C)[C@@H]1O.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate?
The InChIKey is XUHDIUAWLWAPDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-17(2,3)26-14(23)20-10-11-8-12-13(19-9-11)21(7)15(24)22(12)16(25)27-18(4,5)6/h8-9,15,24H,10H2,1-7H3,(H,20,23)/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate?
tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-3-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-imidazo[4,5-b]pyridine-1-carboxylate is sourced from PubChem (CID 86315889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).