5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

C23H23FN6O2 — CID 121249839

IUPAC5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5CC5)[nH]c34)cc2F)o1
InChIInChI=1S/C23H23FN6O2/c1-23(2,3)22-30-29-21(32-22)20(31)26-11-14-7-6-13(10-16(14)24)15-8-9-25-19-17(15)27-18(28-19)12-4-5-12/h6-10,12H,4-5,11H2,1-3H3,(H,26,31)(H,25,27,28)
InChIKeyHOFRBLDHFCOZSJ-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.25
Rot. Bonds5

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

5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121249839) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID121249839
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5CC5)[nH]c34)cc2F)o1
InChIInChI=1S/C23H23FN6O2/c1-23(2,3)22-30-29-21(32-22)20(31)26-11-14-7-6-13(10-16(14)24)15-8-9-25-19-17(15)27-18(28-19)12-4-5-12/h6-10,12H,4-5,11H2,1-3H3,(H,26,31)(H,25,27,28)
InChIKeyHOFRBLDHFCOZSJ-UHFFFAOYSA-N
XLogP4.25
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 121249839) is 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5CC5)[nH]c34)cc2F)o1.
What is the InChIKey of 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HOFRBLDHFCOZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-23(2,3)22-30-29-21(32-22)20(31)26-11-14-7-6-13(10-16(14)24)15-8-9-25-19-17(15)27-18(28-19)12-4-5-12/h6-10,12H,4-5,11H2,1-3H3,(H,26,31)(H,25,27,28).
What are the key properties of 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121249839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).