1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one

C32H34FN7O3 — CID 146698308

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one
SMILESCC1CN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1
InChIInChI=1S/C32H34FN7O3/c1-18-16-40(17-19(2)42-18)22-9-10-25(35-15-22)28-36-27-23(12-13-34-30(27)37-28)21-7-6-20(24(33)14-21)8-11-26(41)29-38-31(43-39-29)32(3,4)5/h6-7,9-10,12-15,18-19H,8,11,16-17H2,1-5H3,(H,34,36,37)
InChIKeyQSCQGLZGCDEUAT-UHFFFAOYSA-N
MW583.67 g/mol
LogP5.94
Rot. Bonds7

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one (PubChem CID 146698308) has the molecular formula C32H34FN7O3 and a molecular weight of 583.67 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one
PubChem CID146698308
Molecular FormulaC32H34FN7O3
Molecular Weight583.67 g/mol
Exact Mass583.27
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one
SMILESCC1CN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1
InChIInChI=1S/C32H34FN7O3/c1-18-16-40(17-19(2)42-18)22-9-10-25(35-15-22)28-36-27-23(12-13-34-30(27)37-28)21-7-6-20(24(33)14-21)8-11-26(41)29-38-31(43-39-29)32(3,4)5/h6-7,9-10,12-15,18-19H,8,11,16-17H2,1-5H3,(H,34,36,37)
InChIKeyQSCQGLZGCDEUAT-UHFFFAOYSA-N
XLogP5.94
TPSA122.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.67
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one with MolForge

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Related Compounds

US11098041, Example 187
CID 121250008
[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 16124179
US11098041, Example 28
CID 121249953
[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 90313518
US11098041, Example 83
CID 121249686
US11098041, Example 134
CID 121249689
US11098041, Example 160
CID 121249692
US11098041, Example 86
CID 121249696
US11098041, Example 119
CID 121249698
US11098041, Example 85
CID 121249704
US11098041, Example 143
CID 121249708
US11098041, Example 162
CID 121249710

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one (CID 146698308) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one is CC1CN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
The InChIKey is QSCQGLZGCDEUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O3/c1-18-16-40(17-19(2)42-18)22-9-10-25(35-15-22)28-36-27-23(12-13-34-30(27)37-28)21-7-6-20(24(33)14-21)8-11-26(41)29-38-31(43-39-29)32(3,4)5/h6-7,9-10,12-15,18-19H,8,11,16-17H2,1-5H3,(H,34,36,37).
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one has a molecular weight of 583.67 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one is sourced from PubChem (CID 146698308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).