1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea

C24H24FN5O3S — CID 137403806

IUPAC1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea
SMILESO=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)C1CN(Cc2cccnc2)C1
InChIInChI=1S/C24H24FN5O3S/c25-22-11-21(17-6-9-26-10-7-17)23(20-5-1-4-19(20)22)28-24(31)29-34(32,33)18-14-30(15-18)13-16-3-2-8-27-12-16/h2-3,6-12,18H,1,4-5,13-15H2,(H2,28,29,31)
InChIKeyUTTOCPGABSBBNS-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.11
Rot. Bonds6

About 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea

1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea (PubChem CID 137403806) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea.

Molecular Properties

Compound Name1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea
PubChem CID137403806
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea
SMILESO=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)C1CN(Cc2cccnc2)C1
InChIInChI=1S/C24H24FN5O3S/c25-22-11-21(17-6-9-26-10-7-17)23(20-5-1-4-19(20)22)28-24(31)29-34(32,33)18-14-30(15-18)13-16-3-2-8-27-12-16/h2-3,6-12,18H,1,4-5,13-15H2,(H2,28,29,31)
InChIKeyUTTOCPGABSBBNS-UHFFFAOYSA-N
XLogP3.11
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea?
The IUPAC name of 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea (CID 137403806) is 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-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-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea?
The canonical SMILES for 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea is O=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)C1CN(Cc2cccnc2)C1.
What is the InChIKey of 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea?
The InChIKey is UTTOCPGABSBBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c25-22-11-21(17-6-9-26-10-7-17)23(20-5-1-4-19(20)22)28-24(31)29-34(32,33)18-14-30(15-18)13-16-3-2-8-27-12-16/h2-3,6-12,18H,1,4-5,13-15H2,(H2,28,29,31).
What are the key properties of 1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea?
1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea has a molecular weight of 481.55 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea is sourced from PubChem (CID 137403806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).