N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C26H34FN5O3S — CID 159394731

IUPACN-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN(C)C)n2)ccn1
InChIInChI=1S/C26H34FN5O3S/c1-17(2)21-13-20(27)14-22(19-8-10-28-18(3)12-19)23(21)15-24(33)30-36(34,35)25-9-11-32(29-25)26(4,5)16-31(6)7/h8-14,17H,15-16H2,1-7H3,(H,30,33)
InChIKeyJMWVJGKMNTXBPR-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.86
Rot. Bonds9

About N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 159394731) has the molecular formula C26H34FN5O3S and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID159394731
Molecular FormulaC26H34FN5O3S
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC NameN-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN(C)C)n2)ccn1
InChIInChI=1S/C26H34FN5O3S/c1-17(2)21-13-20(27)14-22(19-8-10-28-18(3)12-19)23(21)15-24(33)30-36(34,35)25-9-11-32(29-25)26(4,5)16-31(6)7/h8-14,17H,15-16H2,1-7H3,(H,30,33)
InChIKeyJMWVJGKMNTXBPR-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-3-yl)sulfonylpiperazin-2-yl]ethyl]-3-pyridyl]-3-(4-fluorophenyl)propanamide
CID 117846087
US11530200, Example 30
CID 153337689
US11530200, Example 1
CID 155463817
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183541
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-7-phenyl-8-[(pyridin-4-YL)methyl]-1,4,8-triazacycloundecan-5-one
CID 110201985

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 159394731) is N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN(C)C)n2)ccn1.
What is the InChIKey of N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is JMWVJGKMNTXBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O3S/c1-17(2)21-13-20(27)14-22(19-8-10-28-18(3)12-19)23(21)15-24(33)30-36(34,35)25-9-11-32(29-25)26(4,5)16-31(6)7/h8-14,17H,15-16H2,1-7H3,(H,30,33).
What are the key properties of N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 515.66 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 159394731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).