tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate

C22H28N4O2 — CID 10068354

IUPACtert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-7-18-25-19-14(2)12-15(3)23-20(19)26(18)13-16-8-10-17(11-9-16)24-21(27)28-22(4,5)6/h8-12H,7,13H2,1-6H3,(H,24,27)
InChIKeyIMCJIYOSGJPSKP-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.01
Rot. Bonds4

About tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate

tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate (PubChem CID 10068354) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate
PubChem CID10068354
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Nametert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-7-18-25-19-14(2)12-15(3)23-20(19)26(18)13-16-8-10-17(11-9-16)24-21(27)28-22(4,5)6/h8-12H,7,13H2,1-6H3,(H,24,27)
InChIKeyIMCJIYOSGJPSKP-UHFFFAOYSA-N
XLogP5.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate (CID 10068354) is tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate?
The InChIKey is IMCJIYOSGJPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-7-18-25-19-14(2)12-15(3)23-20(19)26(18)13-16-8-10-17(11-9-16)24-21(27)28-22(4,5)6/h8-12H,7,13H2,1-6H3,(H,24,27).
What are the key properties of tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate?
tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 10068354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).