4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H32N8O3S — CID 153427446

IUPAC4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(N4CCN(c5ncccn5)CC4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C26H32N8O3S/c1-18-16-26(2,3)34(17-18)24-22(23(27)35)19(8-11-28-24)38(36,37)21-7-4-6-20(31-21)32-12-14-33(15-13-32)25-29-9-5-10-30-25/h4-11,18H,12-17H2,1-3H3,(H2,27,35)
InChIKeyKGSIQAJOEHKTEG-UHFFFAOYSA-N
MW536.66 g/mol
LogP2.15
Rot. Bonds6

About 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427446) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427446
Molecular FormulaC26H32N8O3S
Molecular Weight536.66 g/mol
Exact Mass536.23
IUPAC Name4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(N4CCN(c5ncccn5)CC4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C26H32N8O3S/c1-18-16-26(2,3)34(17-18)24-22(23(27)35)19(8-11-28-24)38(36,37)21-7-4-6-20(31-21)32-12-14-33(15-13-32)25-29-9-5-10-30-25/h4-11,18H,12-17H2,1-3H3,(H2,27,35)
InChIKeyKGSIQAJOEHKTEG-UHFFFAOYSA-N
XLogP2.15
TPSA138.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

US11377438, Example 149
CID 146525720
US11377438, Example 148
CID 146525870
US11377438, Example 147
CID 146576287
2-(3,4-difluorophenyl)sulfonyl-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
CID 23027576
2-(3,4-Difluorophenyl)sulfonyl-4-[1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
CID 69787476
N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-2-(4-fluorophenyl)sulfonylpyridine-3-carboxamide
CID 69924336
N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251694
N-[6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252488
N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253148
2-[(3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525898
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfonylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146575839
4-[[6-[(3,5-Difluorophenyl)methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427178

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427446) is 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(N4CCN(c5ncccn5)CC4)n3)c2C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is KGSIQAJOEHKTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-18-16-26(2,3)34(17-18)24-22(23(27)35)19(8-11-28-24)38(36,37)21-7-4-6-20(31-21)32-12-14-33(15-13-32)25-29-9-5-10-30-25/h4-11,18H,12-17H2,1-3H3,(H2,27,35).
What are the key properties of 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).