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

C33H33FN6O2 — CID 148714373

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1
InChIInChI=1S/C33H33FN6O2/c1-33(2,3)32-38-30(39-42-32)27(41)12-11-22-7-10-24(19-26(22)34)25-13-16-35-31-28(25)36-29(37-31)23-8-5-20(6-9-23)21-14-17-40(4)18-15-21/h5-10,13-14,16,19H,11-12,15,17-18H2,1-4H3,(H,35,36,37)
InChIKeyNXVHHXFAZZZHLO-UHFFFAOYSA-N
MW564.67 g/mol
LogP6.65
Rot. Bonds7

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

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 148714373) has the molecular formula C33H33FN6O2 and a molecular weight of 564.67 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID148714373
Molecular FormulaC33H33FN6O2
Molecular Weight564.67 g/mol
Exact Mass564.26
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1
InChIInChI=1S/C33H33FN6O2/c1-33(2,3)32-38-30(39-42-32)27(41)12-11-22-7-10-24(19-26(22)34)25-13-16-35-31-28(25)36-29(37-31)23-8-5-20(6-9-23)21-14-17-40(4)18-15-21/h5-10,13-14,16,19H,11-12,15,17-18H2,1-4H3,(H,35,36,37)
InChIKeyNXVHHXFAZZZHLO-UHFFFAOYSA-N
XLogP6.65
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.67
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one with MolForge

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Related Compounds

US11098041, Example 116
CID 121249996
N-[3-[6-(3-acetylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 76321575
US11098041, Example 28
CID 121249953
US11098041, Example 15
CID 121249963
6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-1-yl]hexan-3-one
CID 155566803
N-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 44530542
3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71452297
3-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71462982
N-(7H-purin-6-yl)-4-(4-pyrrol-1-ylphenyl)benzamide
CID 127038252
N-[3-[4-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]propanamide
CID 137649110
3-[4-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)phenyl]-N,N-dimethylpropanamide
CID 145962154
3-[4-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)phenyl]propanamide
CID 145963618

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 148714373) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)cc2)CC1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is NXVHHXFAZZZHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN6O2/c1-33(2,3)32-38-30(39-42-32)27(41)12-11-22-7-10-24(19-26(22)34)25-13-16-35-31-28(25)36-29(37-31)23-8-5-20(6-9-23)21-14-17-40(4)18-15-21/h5-10,13-14,16,19H,11-12,15,17-18H2,1-4H3,(H,35,36,37).
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 564.67 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 148714373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).