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

C30H30F2N8O2 — CID 121250033

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1
InChIInChI=1S/C30H30F2N8O2/c1-30(2,3)29-38-27(39-42-29)28(41)35-15-18-5-4-17(14-22(18)32)21-8-11-33-26-24(21)36-25(37-26)23-7-6-20(16-34-23)40-12-9-19(31)10-13-40/h4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,35,41)(H,33,36,37)
InChIKeySEQSLURLKVUYIH-UHFFFAOYSA-N
MW572.62 g/mol
LogP5.37
Rot. Bonds6

About 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-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-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121250033) has the molecular formula C30H30F2N8O2 and a molecular weight of 572.62 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-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-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121250033
Molecular FormulaC30H30F2N8O2
Molecular Weight572.62 g/mol
Exact Mass572.25
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1
InChIInChI=1S/C30H30F2N8O2/c1-30(2,3)29-38-27(39-42-29)28(41)35-15-18-5-4-17(14-22(18)32)21-8-11-33-26-24(21)36-25(37-26)23-7-6-20(16-34-23)40-12-9-19(31)10-13-40/h4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,35,41)(H,33,36,37)
InChIKeySEQSLURLKVUYIH-UHFFFAOYSA-N
XLogP5.37
TPSA125.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-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-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121250033) is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-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-(4-fluoropiperidin-1-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-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SEQSLURLKVUYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O2/c1-30(2,3)29-38-27(39-42-29)28(41)35-15-18-5-4-17(14-22(18)32)21-8-11-33-26-24(21)36-25(37-26)23-7-6-20(16-34-23)40-12-9-19(31)10-13-40/h4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,35,41)(H,33,36,37).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-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-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 572.62 g/mol, XLogP of 5.37, 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-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121250033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).