1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea

C20H16F3N5O3S — CID 137404115

IUPAC1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESO=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)c1nccnc1C(F)F
InChIInChI=1S/C20H16F3N5O3S/c21-15-10-14(11-4-6-24-7-5-11)16(13-3-1-2-12(13)15)27-20(29)28-32(30,31)19-17(18(22)23)25-8-9-26-19/h4-10,18H,1-3H2,(H2,27,28,29)
InChIKeyOQIXQZVODZJYLA-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.61
Rot. Bonds5

About 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea

1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 137404115) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
PubChem CID137404115
Molecular FormulaC20H16F3N5O3S
Molecular Weight463.44 g/mol
Exact Mass463.09
IUPAC Name1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESO=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)c1nccnc1C(F)F
InChIInChI=1S/C20H16F3N5O3S/c21-15-10-14(11-4-6-24-7-5-11)16(13-3-1-2-12(13)15)27-20(29)28-32(30,31)19-17(18(22)23)25-8-9-26-19/h4-10,18H,1-3H2,(H2,27,28,29)
InChIKeyOQIXQZVODZJYLA-UHFFFAOYSA-N
XLogP3.61
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
The IUPAC name of 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 137404115) is 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.
What is the SMILES notation for 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
The canonical SMILES for 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea is O=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)c1nccnc1C(F)F.
What is the InChIKey of 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
The InChIKey is OQIXQZVODZJYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c21-15-10-14(11-4-6-24-7-5-11)16(13-3-1-2-12(13)15)27-20(29)28-32(30,31)19-17(18(22)23)25-8-9-26-19/h4-10,18H,1-3H2,(H2,27,28,29).
What are the key properties of 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea?
1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea has a molecular weight of 463.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)pyrazin-2-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea is sourced from PubChem (CID 137404115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).