1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

C30H33FN8O3 — CID 147169934

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)no1
InChIInChI=1S/C30H33FN8O3/c1-30(2,3)29-36-27(37-42-29)24(40)7-6-19-4-5-20(16-23(19)31)22-8-9-32-28-25(22)34-26(35-28)21-17-33-39(18-21)11-10-38-12-14-41-15-13-38/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3,(H,32,34,35)
InChIKeyBXNHGSNJEGPWHP-UHFFFAOYSA-N
MW572.65 g/mol
LogP4.46
Rot. Bonds9

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 147169934) has the molecular formula C30H33FN8O3 and a molecular weight of 572.65 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID147169934
Molecular FormulaC30H33FN8O3
Molecular Weight572.65 g/mol
Exact Mass572.27
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)no1
InChIInChI=1S/C30H33FN8O3/c1-30(2,3)29-36-27(37-42-29)24(40)7-6-19-4-5-20(16-23(19)31)22-8-9-32-28-25(22)34-26(35-28)21-17-33-39(18-21)11-10-38-12-14-41-15-13-38/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3,(H,32,34,35)
InChIKeyBXNHGSNJEGPWHP-UHFFFAOYSA-N
XLogP4.46
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437124
3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437256
3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437264
3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437414
US11098041, Example 55
CID 121249709
US11098041, Example 124
CID 121249831
US11098041, Example 165
CID 121249989
US11098041, Example 116
CID 121249996
US11098041, Example 187
CID 121250008
3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437122
3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437173

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 147169934) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is BXNHGSNJEGPWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN8O3/c1-30(2,3)29-36-27(37-42-29)24(40)7-6-19-4-5-20(16-23(19)31)22-8-9-32-28-25(22)34-26(35-28)21-17-33-39(18-21)11-10-38-12-14-41-15-13-38/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3,(H,32,34,35).
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 572.65 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 147169934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).