1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea

C24H29FN4O5S — CID 155613835

IUPAC1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2C=CC(=O)N(C(C)C)C2)ccn1
InChIInChI=1S/C24H29FN4O5S/c1-14(2)19-11-17(25)12-20(16-8-9-26-21(10-16)34-5)23(19)27-24(31)28-35(32,33)18-6-7-22(30)29(13-18)15(3)4/h6-12,14-15,18H,13H2,1-5H3,(H2,27,28,31)
InChIKeyQRIZCFPCQBQYTK-UHFFFAOYSA-N
MW504.58 g/mol
LogP3.65
Rot. Bonds7

About 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea

1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea (PubChem CID 155613835) has the molecular formula C24H29FN4O5S and a molecular weight of 504.58 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea
PubChem CID155613835
Molecular FormulaC24H29FN4O5S
Molecular Weight504.58 g/mol
Exact Mass504.18
IUPAC Name1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2C=CC(=O)N(C(C)C)C2)ccn1
InChIInChI=1S/C24H29FN4O5S/c1-14(2)19-11-17(25)12-20(16-8-9-26-21(10-16)34-5)23(19)27-24(31)28-35(32,33)18-6-7-22(30)29(13-18)15(3)4/h6-12,14-15,18H,13H2,1-5H3,(H2,27,28,31)
InChIKeyQRIZCFPCQBQYTK-UHFFFAOYSA-N
XLogP3.65
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea 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 158
CID 150942302
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
(E)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 59598260
(E)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 59598293
1-[3-[3-(4-Ethylsulfonylpiperazin-1-yl)propyl]-5-fluorophenyl]-3-(6-methoxy-3-pyridinyl)urea
CID 66676497

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea?
The IUPAC name of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea (CID 155613835) is 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea.
What is the SMILES notation for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea?
The canonical SMILES for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea is COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2C=CC(=O)N(C(C)C)C2)ccn1.
What is the InChIKey of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea?
The InChIKey is QRIZCFPCQBQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O5S/c1-14(2)19-11-17(25)12-20(16-8-9-26-21(10-16)34-5)23(19)27-24(31)28-35(32,33)18-6-7-22(30)29(13-18)15(3)4/h6-12,14-15,18H,13H2,1-5H3,(H2,27,28,31).
What are the key properties of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea?
1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea has a molecular weight of 504.58 g/mol, XLogP of 3.65, 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-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea is sourced from PubChem (CID 155613835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).