[(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C26H22FN5O3 — CID 95156904

IUPAC[(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N3CCCC[C@H]3c3ncc(-c4cccc(F)c4)[nH]3)c12
InChIInChI=1S/C26H22FN5O3/c1-15-23-18(13-19(22-9-5-11-34-22)30-25(23)35-31-15)26(33)32-10-3-2-8-21(32)24-28-14-20(29-24)16-6-4-7-17(27)12-16/h4-7,9,11-14,21H,2-3,8,10H2,1H3,(H,28,29)/t21-/m0/s1
InChIKeyWSLHEKSRKJXKNT-NRFANRHFSA-N
MW471.49 g/mol
LogP5.69
Rot. Bonds4

About [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

[(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 95156904) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID95156904
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name[(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)N3CCCC[C@H]3c3ncc(-c4cccc(F)c4)[nH]3)c12
InChIInChI=1S/C26H22FN5O3/c1-15-23-18(13-19(22-9-5-11-34-22)30-25(23)35-31-15)26(33)32-10-3-2-8-21(32)24-28-14-20(29-24)16-6-4-7-17(27)12-16/h4-7,9,11-14,21H,2-3,8,10H2,1H3,(H,28,29)/t21-/m0/s1
InChIKeyWSLHEKSRKJXKNT-NRFANRHFSA-N
XLogP5.69
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 137479154
4-[5-(furan-2-yl)-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638664
N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 137651884
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]propanamide
CID 145961668
3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-N,N-dimethylpropanamide
CID 145962747
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[3,2-c]pyridine-4-carboxamide
CID 90683839
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 90683889
3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide
CID 90683897
US10894784, Example 168.02
CID 129261881
5-(4-(4-fluorophenyl)-1-((tetrahydrofuran-3-yl)methyl)-1H-imidazol-5-yl)-N-(3-fluoropyridin-4-yl)furan-2-carboxamide
CID 154685880
5-(4-(4-fluorophenyl)-1-(4-fluorotetrahydrofuran-3-yl)-1H-imidazol-5-yl)-N-(3-fluoropyridin-4-yl)furan-2-carboxamide
CID 154685902
N-(5-fluoro-2-methylpyridin-4-yl)-5-(4-(4-fluorophenyl)-1-(4-fluorotetrahydrofuran-3-yl)-1H-imidazol-5-yl)furan-2-carboxamide
CID 154685937

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 95156904) is [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCCC[C@H]3c3ncc(-c4cccc(F)c4)[nH]3)c12.
What is the InChIKey of [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is WSLHEKSRKJXKNT-NRFANRHFSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-15-23-18(13-19(22-9-5-11-34-22)30-25(23)35-31-15)26(33)32-10-3-2-8-21(32)24-28-14-20(29-24)16-6-4-7-17(27)12-16/h4-7,9,11-14,21H,2-3,8,10H2,1H3,(H,28,29)/t21-/m0/s1.
What are the key properties of [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
[(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 471.49 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 95156904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).