1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide

C19H24N8O2S — CID 122300186

IUPAC1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1
InChIInChI=1S/C19H24N8O2S/c1-15(2)27-13-18(23-14-27)30(28,29)24-16-11-21-19(22-12-16)26-9-7-25(8-10-26)17-5-3-4-6-20-17/h3-6,11-15,24H,7-10H2,1-2H3
InChIKeyXZYUDMDILYTUAD-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.78
Rot. Bonds6

About 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide

1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide (PubChem CID 122300186) has the molecular formula C19H24N8O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
PubChem CID122300186
Molecular FormulaC19H24N8O2S
Molecular Weight428.52 g/mol
Exact Mass428.17
IUPAC Name1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1
InChIInChI=1S/C19H24N8O2S/c1-15(2)27-13-18(23-14-27)30(28,29)24-16-11-21-19(22-12-16)26-9-7-25(8-10-26)17-5-3-4-6-20-17/h3-6,11-15,24H,7-10H2,1-2H3
InChIKeyXZYUDMDILYTUAD-UHFFFAOYSA-N
XLogP1.78
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921
3-chloro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300152
5-fluoro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 71790232
[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 93069053
4-ethoxy-3-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300169
N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 126831250
2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350088
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-propan-2-ylimidazole-4-sulfonamide
CID 122356992
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299488
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide (CID 122300186) is 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1.
What is the InChIKey of 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The InChIKey is XZYUDMDILYTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2S/c1-15(2)27-13-18(23-14-27)30(28,29)24-16-11-21-19(22-12-16)26-9-7-25(8-10-26)17-5-3-4-6-20-17/h3-6,11-15,24H,7-10H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide has a molecular weight of 428.52 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 122300186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).