5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C32H32FN7O2 — CID 121249696

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1
InChIInChI=1S/C32H32FN7O2/c1-32(2,3)31-38-29(39-42-31)30(41)35-18-23-10-9-22(17-25(23)33)24-11-14-34-28-26(24)36-27(37-28)21-7-5-19(6-8-21)20-12-15-40(4)16-13-20/h5-12,14,17H,13,15-16,18H2,1-4H3,(H,35,41)(H,34,36,37)
InChIKeyYVCQPKWANRMLHA-UHFFFAOYSA-N
MW565.65 g/mol
LogP5.76
Rot. Bonds6

About 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249696) has the molecular formula C32H32FN7O2 and a molecular weight of 565.65 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-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-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249696
Molecular FormulaC32H32FN7O2
Molecular Weight565.65 g/mol
Exact Mass565.26
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1
InChIInChI=1S/C32H32FN7O2/c1-32(2,3)31-38-29(39-42-31)30(41)35-18-23-10-9-22(17-25(23)33)24-11-14-34-28-26(24)36-27(37-28)21-7-5-19(6-8-21)20-12-15-40(4)16-13-20/h5-12,14,17H,13,15-16,18H2,1-4H3,(H,35,41)(H,34,36,37)
InChIKeyYVCQPKWANRMLHA-UHFFFAOYSA-N
XLogP5.76
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-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-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249696) is 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-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-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-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-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YVCQPKWANRMLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O2/c1-32(2,3)31-38-29(39-42-31)30(41)35-18-23-10-9-22(17-25(23)33)24-11-14-34-28-26(24)36-27(37-28)21-7-5-19(6-8-21)20-12-15-40(4)16-13-20/h5-12,14,17H,13,15-16,18H2,1-4H3,(H,35,41)(H,34,36,37).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 565.65 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).