1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea

C21H25FN4O3S — CID 137402547

IUPAC1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
SMILESCC(C)N1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C21H25FN4O3S/c1-13(2)26-11-15(12-26)30(28,29)25-21(27)24-20-17-5-3-4-16(17)19(22)10-18(20)14-6-8-23-9-7-14/h6-10,13,15H,3-5,11-12H2,1-2H3,(H2,24,25,27)
InChIKeyUXHWMXZLJULMCG-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.92
Rot. Bonds5

About 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea

1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea (PubChem CID 137402547) has the molecular formula C21H25FN4O3S and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
PubChem CID137402547
Molecular FormulaC21H25FN4O3S
Molecular Weight432.52 g/mol
Exact Mass432.16
IUPAC Name1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
SMILESCC(C)N1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C21H25FN4O3S/c1-13(2)26-11-15(12-26)30(28,29)25-21(27)24-20-17-5-3-4-16(17)19(22)10-18(20)14-6-8-23-9-7-14/h6-10,13,15H,3-5,11-12H2,1-2H3,(H2,24,25,27)
InChIKeyUXHWMXZLJULMCG-UHFFFAOYSA-N
XLogP2.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The IUPAC name of 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea (CID 137402547) is 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea.
What is the SMILES notation for 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The canonical SMILES for 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea is CC(C)N1CC(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)C1.
What is the InChIKey of 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The InChIKey is UXHWMXZLJULMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3S/c1-13(2)26-11-15(12-26)30(28,29)25-21(27)24-20-17-5-3-4-16(17)19(22)10-18(20)14-6-8-23-9-7-14/h6-10,13,15H,3-5,11-12H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea has a molecular weight of 432.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea is sourced from PubChem (CID 137402547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).