tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

C38H43N7O3 — CID 71142517

IUPACtert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESC[C@@H]1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)c4n3)c2)C[C@H](C)O1
InChIInChI=1S/C38H43N7O3/c1-24-22-44(23-25(2)47-24)29-10-6-9-26(21-29)31-16-17-32-35(41-31)45(34(42-32)30-11-7-20-40-33(30)39)28-14-12-27(13-15-28)38(18-8-19-38)43-36(46)48-37(3,4)5/h6-7,9-17,20-21,24-25H,8,18-19,22-23H2,1-5H3,(H2,39,40)(H,43,46)/t24-,25+
InChIKeyGLQFRWBICYNCQM-PLQXJYEYSA-N
MW645.81 g/mol
LogP7.25
Rot. Bonds6

About tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (PubChem CID 71142517) has the molecular formula C38H43N7O3 and a molecular weight of 645.81 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
PubChem CID71142517
Molecular FormulaC38H43N7O3
Molecular Weight645.81 g/mol
Exact Mass645.34
IUPAC Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESC[C@@H]1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)c4n3)c2)C[C@H](C)O1
InChIInChI=1S/C38H43N7O3/c1-24-22-44(23-25(2)47-24)29-10-6-9-26(21-29)31-16-17-32-35(41-31)45(34(42-32)30-11-7-20-40-33(30)39)28-14-12-27(13-15-28)38(18-8-19-38)43-36(46)48-37(3,4)5/h6-7,9-17,20-21,24-25H,8,18-19,22-23H2,1-5H3,(H2,39,40)(H,43,46)/t24-,25+
InChIKeyGLQFRWBICYNCQM-PLQXJYEYSA-N
XLogP7.25
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (CID 71142517) is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is C[C@@H]1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)c4n3)c2)C[C@H](C)O1.
What is the InChIKey of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is GLQFRWBICYNCQM-PLQXJYEYSA-N. The full InChI is InChI=1S/C38H43N7O3/c1-24-22-44(23-25(2)47-24)29-10-6-9-26(21-29)31-16-17-32-35(41-31)45(34(42-32)30-11-7-20-40-33(30)39)28-14-12-27(13-15-28)38(18-8-19-38)43-36(46)48-37(3,4)5/h6-7,9-17,20-21,24-25H,8,18-19,22-23H2,1-5H3,(H2,39,40)(H,43,46)/t24-,25+.
What are the key properties of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 645.81 g/mol, XLogP of 7.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 71142517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).