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

C28H33FN8O3 — CID 166864785

IUPAC5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C)C(=O)N1CC=C(c2nc3nccc(-c4ccc(CNC(=O)C5=NC(C(C)(C)C)ON5)c(F)c4)c3[nH]2)CC1
InChIInChI=1S/C28H33FN8O3/c1-28(2,3)26-34-24(35-40-26)25(38)31-15-18-7-6-17(14-20(18)29)19-8-11-30-23-21(19)32-22(33-23)16-9-12-37(13-10-16)27(39)36(4)5/h6-9,11,14,26H,10,12-13,15H2,1-5H3,(H,31,38)(H,34,35)(H,30,32,33)
InChIKeyJKSAVQKYGWSZFT-UHFFFAOYSA-N
MW548.62 g/mol
LogP3.46
Rot. Bonds5

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

5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166864785) has the molecular formula C28H33FN8O3 and a molecular weight of 548.62 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
PubChem CID166864785
Molecular FormulaC28H33FN8O3
Molecular Weight548.62 g/mol
Exact Mass548.27
IUPAC Name5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C)C(=O)N1CC=C(c2nc3nccc(-c4ccc(CNC(=O)C5=NC(C(C)(C)C)ON5)c(F)c4)c3[nH]2)CC1
InChIInChI=1S/C28H33FN8O3/c1-28(2,3)26-34-24(35-40-26)25(38)31-15-18-7-6-17(14-20(18)29)19-8-11-30-23-21(19)32-22(33-23)16-9-12-37(13-10-16)27(39)36(4)5/h6-9,11,14,26H,10,12-13,15H2,1-5H3,(H,31,38)(H,34,35)(H,30,32,33)
InChIKeyJKSAVQKYGWSZFT-UHFFFAOYSA-N
XLogP3.46
TPSA127.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

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
5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 145061613
tert-butyl 4-[7-[3-fluoro-4-[[(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)amino]methyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121249946
4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide
CID 121249947
3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121250004
5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 121249712
3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249896
5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 121249778
3-tert-butyl-N-[[2-fluoro-4-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249945
N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluorophenyl]methyl]-4-tert-butylbenzamide;tert-butyl 4-[4-[7-[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-tert-butyl-N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]benzamide;4-tert-butyl-N-[[2-fluoro-4-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide;tert-butyl 4-(4-formylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 159550658
2-tert-butyl-N-[[4-[3-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,3-oxazole-4-carboxamide
CID 135204626
3-tert-butyl-N-[[4-[2-[2-[[(2R)-2-chloropropanoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803837

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide (CID 166864785) is 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide is CN(C)C(=O)N1CC=C(c2nc3nccc(-c4ccc(CNC(=O)C5=NC(C(C)(C)C)ON5)c(F)c4)c3[nH]2)CC1.
What is the InChIKey of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JKSAVQKYGWSZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN8O3/c1-28(2,3)26-34-24(35-40-26)25(38)31-15-18-7-6-17(14-20(18)29)19-8-11-30-23-21(19)32-22(33-23)16-9-12-37(13-10-16)27(39)36(4)5/h6-9,11,14,26H,10,12-13,15H2,1-5H3,(H,31,38)(H,34,35)(H,30,32,33).
What are the key properties of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 548.62 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-2,5-dihydro-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 166864785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).