5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C31H33FN8O3 — CID 121249782

IUPAC5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC1CN(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1
InChIInChI=1S/C31H33FN8O3/c1-17-15-40(16-18(2)42-17)21-8-9-24(34-14-21)26-36-25-22(10-11-33-27(25)37-26)19-6-7-20(23(32)12-19)13-35-29(41)28-38-30(43-39-28)31(3,4)5/h6-12,14,17-18H,13,15-16H2,1-5H3,(H,35,41)(H,33,36,37)
InChIKeyXHQCNSGGMZEHIX-UHFFFAOYSA-N
MW584.66 g/mol
LogP5.05
Rot. Bonds6

About 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249782) has the molecular formula C31H33FN8O3 and a molecular weight of 584.66 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249782
Molecular FormulaC31H33FN8O3
Molecular Weight584.66 g/mol
Exact Mass584.27
IUPAC Name5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC1CN(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1
InChIInChI=1S/C31H33FN8O3/c1-17-15-40(16-18(2)42-17)21-8-9-24(34-14-21)26-36-25-22(10-11-33-27(25)37-26)19-6-7-20(23(32)12-19)13-35-29(41)28-38-30(43-39-28)31(3,4)5/h6-12,14,17-18H,13,15-16H2,1-5H3,(H,35,41)(H,33,36,37)
InChIKeyXHQCNSGGMZEHIX-UHFFFAOYSA-N
XLogP5.05
TPSA134.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.66
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide 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 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249782) is 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC1CN(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1.
What is the InChIKey of 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XHQCNSGGMZEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O3/c1-17-15-40(16-18(2)42-17)21-8-9-24(34-14-21)26-36-25-22(10-11-33-27(25)37-26)19-6-7-20(23(32)12-19)13-35-29(41)28-38-30(43-39-28)31(3,4)5/h6-12,14,17-18H,13,15-16H2,1-5H3,(H,35,41)(H,33,36,37).
What are the key properties of 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 584.66 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).