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

C31H33FN8O2 — CID 121249811

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CCC(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
InChIInChI=1S/C31H33FN8O2/c1-31(2,3)30-38-28(39-42-30)29(41)35-17-21-6-5-19(15-23(21)32)22-9-12-33-27-25(22)36-26(37-27)24-8-7-20(16-34-24)18-10-13-40(4)14-11-18/h5-9,12,15-16,18H,10-11,13-14,17H2,1-4H3,(H,35,41)(H,33,36,37)
InChIKeyQIAGBEPHYQLQDQ-UHFFFAOYSA-N
MW568.66 g/mol
LogP5.25
Rot. Bonds6

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

5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249811) has the molecular formula C31H33FN8O2 and a molecular weight of 568.66 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249811
Molecular FormulaC31H33FN8O2
Molecular Weight568.66 g/mol
Exact Mass568.27
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CCC(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
InChIInChI=1S/C31H33FN8O2/c1-31(2,3)30-38-28(39-42-30)29(41)35-17-21-6-5-19(15-23(21)32)22-9-12-33-27-25(22)36-26(37-27)24-8-7-20(16-34-24)18-10-13-40(4)14-11-18/h5-9,12,15-16,18H,10-11,13-14,17H2,1-4H3,(H,35,41)(H,33,36,37)
InChIKeyQIAGBEPHYQLQDQ-UHFFFAOYSA-N
XLogP5.25
TPSA125.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.66
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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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
US11098041, Example 124
CID 121249831
US11098041, Example 165
CID 121249989
US11098041, Example 116
CID 121249996
US11098041, Example 187
CID 121250008
1-[4-[[2-[[6-[2-(dimethylamino)pyridin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 137479140
3-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71461260
N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 57394933
N-Ethyl-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxamide
CID 58266536
N-[4-fluoro-3-(6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 76310660
N-[4-fluoro-3-[6-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76317857
US11098041, Example 28
CID 121249953

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249811) is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CN1CCC(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QIAGBEPHYQLQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2/c1-31(2,3)30-38-28(39-42-30)29(41)35-17-21-6-5-19(15-23(21)32)22-9-12-33-27-25(22)36-26(37-27)24-8-7-20(16-34-24)18-10-13-40(4)14-11-18/h5-9,12,15-16,18H,10-11,13-14,17H2,1-4H3,(H,35,41)(H,33,36,37).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 568.66 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).