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

C23H25FN4O3S — CID 155421051

IUPAC2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
SMILESCC(C)N1CC(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C23H25FN4O3S/c1-14(2)28-12-17(13-28)32(30,31)27-23(29)10-21-18-4-3-5-19(18)22(24)9-20(21)15-6-7-26-16(8-15)11-25/h6-9,14,17H,3-5,10,12-13H2,1-2H3,(H,27,29)
InChIKeyHWRPXNPEUVJBOP-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.33
Rot. Bonds6

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

2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (PubChem CID 155421051) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
PubChem CID155421051
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC Name2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
SMILESCC(C)N1CC(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C23H25FN4O3S/c1-14(2)28-12-17(13-28)32(30,31)27-23(29)10-21-18-4-3-5-19(18)22(24)9-20(21)15-6-7-26-16(8-15)11-25/h6-9,14,17H,3-5,10,12-13H2,1-2H3,(H,27,29)
InChIKeyHWRPXNPEUVJBOP-UHFFFAOYSA-N
XLogP2.33
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (CID 155421051) is 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide.
What is the SMILES notation for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The canonical SMILES for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide is CC(C)N1CC(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C#N)c3)cc(F)c3c2CCC3)C1.
What is the InChIKey of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The InChIKey is HWRPXNPEUVJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-14(2)28-12-17(13-28)32(30,31)27-23(29)10-21-18-4-3-5-19(18)22(24)9-20(21)15-6-7-26-16(8-15)11-25/h6-9,14,17H,3-5,10,12-13H2,1-2H3,(H,27,29).
What are the key properties of 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide has a molecular weight of 456.54 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyano-4-pyridinyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide is sourced from PubChem (CID 155421051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).