[7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol

C24H22ClN3O3S — CID 161207918

IUPAC[7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCCN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1
InChIInChI=1S/C24H22ClN3O3S/c1-2-28-6-4-19-18(11-28)23(31-27-19)21-8-13-7-14(25)9-17(22(13)30-21)16-3-5-26-20-10-15(12-29)32-24(16)20/h3,5,7,9-10,21,29H,2,4,6,8,11-12H2,1H3/t21-/m1/s1
InChIKeyUVVTWBAKDMIDLS-OAQYLSRUSA-N
MW467.98 g/mol
LogP5.15
Rot. Bonds4

About [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol

[7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 161207918) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
PubChem CID161207918
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name[7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCCN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1
InChIInChI=1S/C24H22ClN3O3S/c1-2-28-6-4-19-18(11-28)23(31-27-19)21-8-13-7-14(25)9-17(22(13)30-21)16-3-5-26-20-10-15(12-29)32-24(16)20/h3,5,7,9-10,21,29H,2,4,6,8,11-12H2,1H3/t21-/m1/s1
InChIKeyUVVTWBAKDMIDLS-OAQYLSRUSA-N
XLogP5.15
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

1-[7-[5-chloro-2-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 157203030
(1R)-1-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 158769667
4-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine
CID 157095899
[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methylcarbamic acid
CID 166784928
N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]methanesulfonamide
CID 157200763
[7-[(2R)-5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
CID 162469805
3-[(2R)-5-chloro-7-[2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 158024991
N-[[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methyl-4-oxobutanamide
CID 166789357
[7-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[3-(methylaminomethyl)furan-2-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 158742479
3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxetan-3-ol
CID 161331973
(3S)-3-[7-[(2R)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]oxolan-3-ol
CID 158759487
1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol
CID 159334658

Frequently Asked Questions

What is the IUPAC name of [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol (CID 161207918) is [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol is CCN1CCc2noc([C@H]3Cc4cc(Cl)cc(-c5ccnc6cc(CO)sc56)c4O3)c2C1.
What is the InChIKey of [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is UVVTWBAKDMIDLS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-2-28-6-4-19-18(11-28)23(31-27-19)21-8-13-7-14(25)9-17(22(13)30-21)16-3-5-26-20-10-15(12-29)32-24(16)20/h3,5,7,9-10,21,29H,2,4,6,8,11-12H2,1H3/t21-/m1/s1.
What are the key properties of [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol?
[7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 467.98 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2R)-5-chloro-2-(5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 161207918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).