[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone

C23H24ClN3O2S — CID 161273820

IUPAC[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)[C@H]2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1
InChIInChI=1S/C23H24ClN3O2S/c1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19/h5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3/t16?,20-/m1/s1
InChIKeyVEEDEGKALYYJPF-OTOKDRCRSA-N
MW441.98 g/mol
LogP4.47
Rot. Bonds3

About [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone

[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 161273820) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID161273820
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC Name[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)[C@H]2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1
InChIInChI=1S/C23H24ClN3O2S/c1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19/h5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3/t16?,20-/m1/s1
InChIKeyVEEDEGKALYYJPF-OTOKDRCRSA-N
XLogP4.47
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 157156939
[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 160951559
(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
CID 158937262
N-[[7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide
CID 158101042
[5-chloro-7-[2-(1-chloro-2,3-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158016908
[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157341200
[(2R)-5-chloro-7-[2-[(1R)-1-hydroxypropyl]thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 159894434
[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157118204
[5-chloro-7-[2-[(1,1-dihydroxythiazinan-2-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 166784915
[3-(azetidin-3-yl)piperidin-1-yl]-[5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 159343672
[5-chloro-7-[2-(2-chloro-1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 166789281
N-[1-[7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]acetamide
CID 161003602

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone (CID 161273820) is [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)[C@H]2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.
What is the InChIKey of [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is VEEDEGKALYYJPF-OTOKDRCRSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19/h5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3/t16?,20-/m1/s1.
What are the key properties of [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
[(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 441.98 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl]-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 161273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).