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

C29H32FN7O4 — CID 121249946

IUPACtert-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
SMILESCC(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)[nH]c34)cc2F)o1
InChIInChI=1S/C29H32FN7O4/c1-16(2)26-35-36-27(40-26)25(38)32-15-19-7-6-18(14-21(19)30)20-8-11-31-24-22(20)33-23(34-24)17-9-12-37(13-10-17)28(39)41-29(3,4)5/h6-9,11,14,16H,10,12-13,15H2,1-5H3,(H,32,38)(H,31,33,34)
InChIKeySVEJCTLTJNMKLR-UHFFFAOYSA-N
MW561.62 g/mol
LogP5.22
Rot. Bonds6

About 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

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 (PubChem CID 121249946) has the molecular formula C29H32FN7O4 and a molecular weight of 561.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID121249946
Molecular FormulaC29H32FN7O4
Molecular Weight561.62 g/mol
Exact Mass561.25
IUPAC Nametert-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
SMILESCC(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)[nH]c34)cc2F)o1
InChIInChI=1S/C29H32FN7O4/c1-16(2)26-35-36-27(40-26)25(38)32-15-19-7-6-18(14-21(19)30)20-8-11-31-24-22(20)33-23(34-24)17-9-12-37(13-10-17)28(39)41-29(3,4)5/h6-9,11,14,16H,10,12-13,15H2,1-5H3,(H,32,38)(H,31,33,34)
InChIKeySVEJCTLTJNMKLR-UHFFFAOYSA-N
XLogP5.22
TPSA139.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.62
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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
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
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
3-tert-butyl-N-[[4-[2-[3-[(2-chloroacetyl)amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803564
5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
CID 171803536
3-tert-butyl-N-[[2-fluoro-4-[2-[3-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803785
3-tert-butyl-N-[[4-[2-[3-chloro-2-(prop-2-enoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803507

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nnc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)[nH]c34)cc2F)o1.
What is the InChIKey of 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?
The InChIKey is SVEJCTLTJNMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O4/c1-16(2)26-35-36-27(40-26)25(38)32-15-19-7-6-18(14-21(19)30)20-8-11-31-24-22(20)33-23(34-24)17-9-12-37(13-10-17)28(39)41-29(3,4)5/h6-9,11,14,16H,10,12-13,15H2,1-5H3,(H,32,38)(H,31,33,34).
What are the key properties of 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?
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 has a molecular weight of 561.62 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121249946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).