2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide

C23H28FN3O4S — CID 152871239

IUPAC2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
SMILESCOc1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)CCC3)ccn1
InChIInChI=1S/C23H28FN3O4S/c1-14(2)27-12-16(13-27)32(29,30)26-22(28)11-20-17-5-4-6-18(17)21(24)10-19(20)15-7-8-25-23(9-15)31-3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,26,28)
InChIKeyTZLJFLMOUDZGPB-UHFFFAOYSA-N
MW461.56 g/mol
LogP2.47
Rot. Bonds7

About 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide

2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (PubChem CID 152871239) has the molecular formula C23H28FN3O4S and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
PubChem CID152871239
Molecular FormulaC23H28FN3O4S
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
SMILESCOc1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)CCC3)ccn1
InChIInChI=1S/C23H28FN3O4S/c1-14(2)27-12-16(13-27)32(29,30)26-22(28)11-20-17-5-4-6-18(17)21(24)10-19(20)15-7-8-25-23(9-15)31-3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,26,28)
InChIKeyTZLJFLMOUDZGPB-UHFFFAOYSA-N
XLogP2.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The IUPAC name of 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (CID 152871239) is 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide.
What is the SMILES notation for 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The canonical SMILES for 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide is COc1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)CCC3)ccn1.
What is the InChIKey of 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The InChIKey is TZLJFLMOUDZGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4S/c1-14(2)27-12-16(13-27)32(29,30)26-22(28)11-20-17-5-4-6-18(17)21(24)10-19(20)15-7-8-25-23(9-15)31-3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,26,28).
What are the key properties of 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide has a molecular weight of 461.56 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide is sourced from PubChem (CID 152871239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).