1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea

C20H23FN4O3S — CID 137402570

IUPAC1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESCCN1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C20H23FN4O3S/c1-2-25-11-14(12-25)29(27,28)24-20(26)23-19-16-5-3-4-15(16)18(21)10-17(19)13-6-8-22-9-7-13/h6-10,14H,2-5,11-12H2,1H3,(H2,23,24,26)
InChIKeyYUNIOEXXOQSKEJ-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.53
Rot. Bonds5

About 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea

1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 137402570) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
PubChem CID137402570
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESCCN1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C20H23FN4O3S/c1-2-25-11-14(12-25)29(27,28)24-20(26)23-19-16-5-3-4-15(16)18(21)10-17(19)13-6-8-22-9-7-13/h6-10,14H,2-5,11-12H2,1H3,(H2,23,24,26)
InChIKeyYUNIOEXXOQSKEJ-UHFFFAOYSA-N
XLogP2.53
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea with MolForge

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Related Compounds

N-[(2s)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propanesulfonamide
CID 46398805
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-pyridin-2-ylethenyl]sulfonylurea
CID 137537344
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-pyridin-4-ylethenyl]sulfonylurea
CID 137537407
1-(N-cyano-S-pyridin-2-ylsulfonimidoyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142490201
1-(N-cyano-S-pyridin-3-ylsulfonimidoyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142490221
1-(N-cyano-S-pyridin-4-ylsulfonimidoyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142490261
N-(5-(6-Fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl)-2-propanesulfonamide
CID 11544537
N-[5-(2-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide
CID 11709762
N-[(2R)-5-(6-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 24984572
1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea
CID 122480620
3-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-1-(pyridine-3-sulfonyl)urea
CID 122480705
1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea
CID 137403916

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
The IUPAC name of 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 137402570) is 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea is CCN1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
The InChIKey is YUNIOEXXOQSKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-2-25-11-14(12-25)29(27,28)24-20(26)23-19-16-5-3-4-15(16)18(21)10-17(19)13-6-8-22-9-7-13/h6-10,14H,2-5,11-12H2,1H3,(H2,23,24,26).
What are the key properties of 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea has a molecular weight of 418.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea is sourced from PubChem (CID 137402570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).