N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C18H25N7O2S — CID 166351100

IUPACN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cn1C
InChIInChI=1S/C18H25N7O2S/c1-12(2)16-21-15(11-24(16)6)28(26,27)23-14-10-13(18(3,4)5)22-25(14)17-19-8-7-9-20-17/h7-12,23H,1-6H3
InChIKeyRHWZRRCWWQWEKJ-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.62
Rot. Bonds5

About N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 166351100) has the molecular formula C18H25N7O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID166351100
Molecular FormulaC18H25N7O2S
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cn1C
InChIInChI=1S/C18H25N7O2S/c1-12(2)16-21-15(11-24(16)6)28(26,27)23-14-10-13(18(3,4)5)22-25(14)17-19-8-7-9-20-17/h7-12,23H,1-6H3
InChIKeyRHWZRRCWWQWEKJ-UHFFFAOYSA-N
XLogP2.62
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 166351087
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122356419
1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide
CID 122302549
N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide
CID 166351117
(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 98216077
4-methyl-4-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]pentanoic acid
CID 122068700
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 56573638
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 56573549
1-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122286920
1-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122296255
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 56570330
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 166351100) is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cn1C.
What is the InChIKey of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is RHWZRRCWWQWEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2S/c1-12(2)16-21-15(11-24(16)6)28(26,27)23-14-10-13(18(3,4)5)22-25(14)17-19-8-7-9-20-17/h7-12,23H,1-6H3.
What are the key properties of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 403.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 166351100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).