N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

C26H34FN5O3S — CID 147617770

IUPACN-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1
InChIInChI=1S/C26H34FN5O3S/c1-16(2)21-11-20(27)12-22(19-9-8-10-28-15-19)23(21)13-25(33)30-36(34,35)26-14-24(18(5)31(6)7)32(29-26)17(3)4/h8-12,14-18H,13H2,1-7H3,(H,30,33)
InChIKeyGDGMNTUBIXLIJU-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.46
Rot. Bonds9

About N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (PubChem CID 147617770) has the molecular formula C26H34FN5O3S and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
PubChem CID147617770
Molecular FormulaC26H34FN5O3S
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC NameN-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1
InChIInChI=1S/C26H34FN5O3S/c1-16(2)21-11-20(27)12-22(19-9-8-10-28-15-19)23(21)13-25(33)30-36(34,35)26-14-24(18(5)31(6)7)32(29-26)17(3)4/h8-12,14-18H,13H2,1-7H3,(H,30,33)
InChIKeyGDGMNTUBIXLIJU-UHFFFAOYSA-N
XLogP4.46
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide with MolForge

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Related Compounds

US11530200, Example 7
CID 155463941
US11530200, Example 9
CID 155464035
US11530200, Example 16
CID 150256271
US11530200, Example 2
CID 155463940
US11530200, Example 27
CID 155464201
US11530200, Example 11
CID 155464272
US10023592, Example 213
CID 118022049
(3S)-3-(3,5-difluorophenyl)-N-[5-fluoro-4-[2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpiperazin-2-yl]ethyl]-3-pyridyl]-3-(4-fluorophenyl)propanamide
CID 117845982
(3S)-3-(3,5-difluorophenyl)-N-[5-fluoro-4-[2-[(2S)-1-(1-methylpyrazol-3-yl)sulfonylpiperazin-2-yl]ethyl]-3-pyridyl]-3-(4-fluorophenyl)propanamide
CID 117846087
US11530200, Example 30
CID 153337689
US11530200, Example 1
CID 155463817
(S)-N-((S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl)-4-methyl-3-(pyridin-3-yl)pentanamide
CID 166025342

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (CID 147617770) is N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1.
What is the InChIKey of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The InChIKey is GDGMNTUBIXLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O3S/c1-16(2)21-11-20(27)12-22(19-9-8-10-28-15-19)23(21)13-25(33)30-36(34,35)26-14-24(18(5)31(6)7)32(29-26)17(3)4/h8-12,14-18H,13H2,1-7H3,(H,30,33).
What are the key properties of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide has a molecular weight of 515.66 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 147617770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).