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

C25H27FN8O3 — CID 166864826

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)C1N=C(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCO)c5)[nH]c34)cc2F)NO1
InChIInChI=1S/C25H27FN8O3/c1-25(2,3)24-32-22(33-37-24)23(36)28-11-15-5-4-14(10-18(15)26)17-6-7-27-21-19(17)30-20(31-21)16-12-29-34(13-16)8-9-35/h4-7,10,12-13,24,35H,8-9,11H2,1-3H3,(H,28,36)(H,32,33)(H,27,30,31)
InChIKeyTTXHEFZGHUXJSB-UHFFFAOYSA-N
MW506.54 g/mol
LogP2.54
Rot. Bonds7

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

5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166864826) has the molecular formula C25H27FN8O3 and a molecular weight of 506.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
PubChem CID166864826
Molecular FormulaC25H27FN8O3
Molecular Weight506.54 g/mol
Exact Mass506.22
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)C1N=C(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCO)c5)[nH]c34)cc2F)NO1
InChIInChI=1S/C25H27FN8O3/c1-25(2,3)24-32-22(33-37-24)23(36)28-11-15-5-4-14(10-18(15)26)17-6-7-27-21-19(17)30-20(31-21)16-12-29-34(13-16)8-9-35/h4-7,10,12-13,24,35H,8-9,11H2,1-3H3,(H,28,36)(H,32,33)(H,27,30,31)
InChIKeyTTXHEFZGHUXJSB-UHFFFAOYSA-N
XLogP2.54
TPSA142.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide (CID 166864826) is 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)C1N=C(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCO)c5)[nH]c34)cc2F)NO1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is TTXHEFZGHUXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O3/c1-25(2,3)24-32-22(33-37-24)23(36)28-11-15-5-4-14(10-18(15)26)17-6-7-27-21-19(17)30-20(31-21)16-12-29-34(13-16)8-9-35/h4-7,10,12-13,24,35H,8-9,11H2,1-3H3,(H,28,36)(H,32,33)(H,27,30,31).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 506.54 g/mol, XLogP of 2.54, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 166864826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).