1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea

C22H29FN4O4S — CID 150942302

IUPAC1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2CN(C(C)C)C2)ccn1
InChIInChI=1S/C22H29FN4O4S/c1-13(2)18-9-16(23)10-19(15-6-7-24-20(8-15)31-5)21(18)25-22(28)26-32(29,30)17-11-27(12-17)14(3)4/h6-10,13-14,17H,11-12H2,1-5H3,(H2,25,26,28)
InChIKeyLIHRRCGCKZETES-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.56
Rot. Bonds7

About 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea

1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea (PubChem CID 150942302) has the molecular formula C22H29FN4O4S and a molecular weight of 464.56 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
PubChem CID150942302
Molecular FormulaC22H29FN4O4S
Molecular Weight464.56 g/mol
Exact Mass464.19
IUPAC Name1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2CN(C(C)C)C2)ccn1
InChIInChI=1S/C22H29FN4O4S/c1-13(2)18-9-16(23)10-19(15-6-7-24-20(8-15)31-5)21(18)25-22(28)26-32(29,30)17-11-27(12-17)14(3)4/h6-10,13-14,17H,11-12H2,1-5H3,(H2,25,26,28)
InChIKeyLIHRRCGCKZETES-UHFFFAOYSA-N
XLogP3.56
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea with MolForge

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Related Compounds

1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea
CID 137403200
US20250115591, Example 166
CID 137380069
US20250115591, Example 186
CID 137402955
US20250115591, Example 177
CID 151104629
US20250115591, Example 173
CID 151105939
US20250115591, Example 162
CID 153526455
US20250115591, Example 101
CID 153636202
1-[[5-[(4-Ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 23658771
1-[3-[3-(4-Ethylsulfonylpiperazin-1-yl)propyl]-5-fluorophenyl]-3-(6-methoxy-3-pyridinyl)urea
CID 66676497
(5R)-5-[2-fluoro-5-[(3-methyl-2-pyridinyl)oxymethyl]phenyl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 68364038
1-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[1-(1-iodoethyl)azetidin-3-yl]sulfonylurea
CID 137380071
1-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[1-(1-iodocyclobutyl)azetidin-3-yl]sulfonylurea
CID 137380119

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The IUPAC name of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea (CID 150942302) is 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea.
What is the SMILES notation for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The canonical SMILES for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea is COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.
What is the InChIKey of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
The InChIKey is LIHRRCGCKZETES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S/c1-13(2)18-9-16(23)10-19(15-6-7-24-20(8-15)31-5)21(18)25-22(28)26-32(29,30)17-11-27(12-17)14(3)4/h6-10,13-14,17H,11-12H2,1-5H3,(H2,25,26,28).
What are the key properties of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea?
1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea has a molecular weight of 464.56 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea is sourced from PubChem (CID 150942302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).