tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate

C32H37N5O4 — CID 90368116

IUPACtert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C32H37N5O4/c1-21(33-31(39)41-32(2,3)4)30(38)37-18-16-23(17-19-37)26-14-15-27-29(34-26)36-28(35-27)24-10-12-25(13-11-24)40-20-22-8-6-5-7-9-22/h5-15,21,23H,16-20H2,1-4H3,(H,33,39)(H,34,35,36)/t21-/m1/s1
InChIKeyXPULJEHJVJGNQZ-OAQYLSRUSA-N
MW555.68 g/mol
LogP5.82
Rot. Bonds7

About tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 90368116) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate
PubChem CID90368116
Molecular FormulaC32H37N5O4
Molecular Weight555.68 g/mol
Exact Mass555.28
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C32H37N5O4/c1-21(33-31(39)41-32(2,3)4)30(38)37-18-16-23(17-19-37)26-14-15-27-29(34-26)36-28(35-27)24-10-12-25(13-11-24)40-20-22-8-6-5-7-9-22/h5-15,21,23H,16-20H2,1-4H3,(H,33,39)(H,34,35,36)/t21-/m1/s1
InChIKeyXPULJEHJVJGNQZ-OAQYLSRUSA-N
XLogP5.82
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]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-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate (CID 90368116) is tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is XPULJEHJVJGNQZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H37N5O4/c1-21(33-31(39)41-32(2,3)4)30(38)37-18-16-23(17-19-37)26-14-15-27-29(34-26)36-28(35-27)24-10-12-25(13-11-24)40-20-22-8-6-5-7-9-22/h5-15,21,23H,16-20H2,1-4H3,(H,33,39)(H,34,35,36)/t21-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 555.68 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-[4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 90368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).