N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide

C18H24ClN9O2S — CID 175593840

IUPACN-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnn(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)c1
InChIInChI=1S/C18H24ClN9O2S/c1-2-7-31(29,30)26-14-9-23-28(12-14)17-16(19)10-21-18(25-17)24-13-8-22-27(11-13)15-3-5-20-6-4-15/h8-12,15,20,26H,2-7H2,1H3,(H,21,24,25)
InChIKeyDWSXQJVVBLMTDM-UHFFFAOYSA-N
MW465.97 g/mol
LogP2.33
Rot. Bonds8

About N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide

N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide (PubChem CID 175593840) has the molecular formula C18H24ClN9O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide
PubChem CID175593840
Molecular FormulaC18H24ClN9O2S
Molecular Weight465.97 g/mol
Exact Mass465.15
IUPAC NameN-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnn(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)c1
InChIInChI=1S/C18H24ClN9O2S/c1-2-7-31(29,30)26-14-9-23-28(12-14)17-16(19)10-21-18(25-17)24-13-8-22-27(11-13)15-3-5-20-6-4-15/h8-12,15,20,26H,2-7H2,1H3,(H,21,24,25)
InChIKeyDWSXQJVVBLMTDM-UHFFFAOYSA-N
XLogP2.33
TPSA131.65 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-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

1-cyclopropyl-N-(1-piperidin-4-ylpyrazol-4-yl)methanesulfonamide
CID 64989081
5-chloro-4-N-(2-dimethylphosphinothioylphenyl)-2-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 147777660
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
3-(4-ethoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667042
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
CID 97428228
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 155203648
N-[3-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]-2,2-difluorocyclopropane-1-carboxamide
CID 170552962
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
N-[4-chloro-2-fluoro-3-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 66558373

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide (CID 175593840) is N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cnn(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)c1.
What is the InChIKey of N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide?
The InChIKey is DWSXQJVVBLMTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN9O2S/c1-2-7-31(29,30)26-14-9-23-28(12-14)17-16(19)10-21-18(25-17)24-13-8-22-27(11-13)15-3-5-20-6-4-15/h8-12,15,20,26H,2-7H2,1H3,(H,21,24,25).
What are the key properties of N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide?
N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide has a molecular weight of 465.97 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 175593840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).