1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea

C21H27FN4O3S — CID 151792765

IUPAC1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)C1CN(C(C)C)C1
InChIInChI=1S/C21H27FN4O3S/c1-13(2)18-8-16(22)9-19(15-6-5-7-23-10-15)20(18)24-21(27)25-30(28,29)17-11-26(12-17)14(3)4/h5-10,13-14,17H,11-12H2,1-4H3,(H2,24,25,27)
InChIKeyRWYQUSVMYDECEL-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea

1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea (PubChem CID 151792765) has the molecular formula C21H27FN4O3S and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
PubChem CID151792765
Molecular FormulaC21H27FN4O3S
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)C1CN(C(C)C)C1
InChIInChI=1S/C21H27FN4O3S/c1-13(2)18-8-16(22)9-19(15-6-5-7-23-10-15)20(18)24-21(27)25-30(28,29)17-11-26(12-17)14(3)4/h5-10,13-14,17H,11-12H2,1-4H3,(H2,24,25,27)
InChIKeyRWYQUSVMYDECEL-UHFFFAOYSA-N
XLogP3.56
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea with MolForge

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Related Compounds

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CID 135126365
C-(3-Fluoro-phenyl)-N-[4-(3-pyridin-4-ylmethyl-ureido)-phenyl]-methanesulfonamide
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C-(2-Fluoro-phenyl)-N-[4-(3-pyridin-4-ylmethyl-ureido)-phenyl]-methanesulfonamide
CID 135222599
1-[4-(4-Fluoro-phenylmethanesulfonyl)-phenyl]-3-(1H-pyrazol-4-yl)-urea
CID 135231176
N-[4-(3-Pyridin-4-ylmethyl-ureido)-phenyl]-C-m-tolyl-methanesulfonamide
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US20250115591, Example 168
CID 137402570
US20250115591, Example 164
CID 137403804
US20250115591, Example 171
CID 137403806
US11724992, Example 215
CID 146450693
US11724992, Example 220
CID 146450707
US20250115591, Example 172
CID 150939166

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The IUPAC name of 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea (CID 151792765) is 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea.
What is the SMILES notation for 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The canonical SMILES for 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea is CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)C1CN(C(C)C)C1.
What is the InChIKey of 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The InChIKey is RWYQUSVMYDECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3S/c1-13(2)18-8-16(22)9-19(15-6-5-7-23-10-15)20(18)24-21(27)25-30(28,29)17-11-26(12-17)14(3)4/h5-10,13-14,17H,11-12H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea has a molecular weight of 434.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea is sourced from PubChem (CID 151792765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).