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

C31H35FN8O2 — CID 157103584

IUPAC1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nnc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCCCC6)c5)[nH]c34)cc2F)o1
InChIInChI=1S/C31H35FN8O2/c1-31(2,3)30-38-37-29(42-30)25(41)10-9-20-7-8-21(17-24(20)32)23-11-12-33-28-26(23)35-27(36-28)22-18-34-40(19-22)16-15-39-13-5-4-6-14-39/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3,(H,33,35,36)
InChIKeyAGAUIBLYRATPGI-UHFFFAOYSA-N
MW570.67 g/mol
LogP5.61
Rot. Bonds9

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

1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 157103584) has the molecular formula C31H35FN8O2 and a molecular weight of 570.67 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID157103584
Molecular FormulaC31H35FN8O2
Molecular Weight570.67 g/mol
Exact Mass570.29
IUPAC Name1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nnc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCCCC6)c5)[nH]c34)cc2F)o1
InChIInChI=1S/C31H35FN8O2/c1-31(2,3)30-38-37-29(42-30)25(41)10-9-20-7-8-21(17-24(20)32)23-11-12-33-28-26(23)35-27(36-28)22-18-34-40(19-22)16-15-39-13-5-4-6-14-39/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3,(H,33,35,36)
InChIKeyAGAUIBLYRATPGI-UHFFFAOYSA-N
XLogP5.61
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.67
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

US11098041, Example 124
CID 121249831
US11098041, Example 187
CID 121250008
US11098041, Example 168
CID 121249903
US11098041, Example 15
CID 121249963
2-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,3,4-oxadiazole
CID 122179464
2-ethyl-5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1,3,4-oxadiazole
CID 122179465
2-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,3,4-oxadiazole
CID 122179466
US11098041, Example 135
CID 121249674
US11098041, Example 127
CID 121249682
US11098041, Example 122
CID 121249693
US11098041, Example 119
CID 121249698
US11098041, Example 111
CID 121249712

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 157103584) is 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-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-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CC(C)(C)c1nnc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCCCC6)c5)[nH]c34)cc2F)o1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is AGAUIBLYRATPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN8O2/c1-31(2,3)30-38-37-29(42-30)25(41)10-9-20-7-8-21(17-24(20)32)23-11-12-33-28-26(23)35-27(36-28)22-18-34-40(19-22)16-15-39-13-5-4-6-14-39/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3,(H,33,35,36).
What are the key properties of 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 570.67 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-[2-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 157103584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).