3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide

C17H22N8O2S — CID 122288738

IUPAC3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccnc(Nc2ccc(NCCNS(=O)(=O)c3c(C)n[nH]c3C)nn2)c1
InChIInChI=1S/C17H22N8O2S/c1-11-6-7-18-16(10-11)21-15-5-4-14(24-25-15)19-8-9-20-28(26,27)17-12(2)22-23-13(17)3/h4-7,10,20H,8-9H2,1-3H3,(H,19,24)(H,22,23)(H,18,21,25)
InChIKeyDMUNTIUALVVKAE-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.65
Rot. Bonds8

About 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 122288738) has the molecular formula C17H22N8O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID122288738
Molecular FormulaC17H22N8O2S
Molecular Weight402.48 g/mol
Exact Mass402.16
IUPAC Name3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccnc(Nc2ccc(NCCNS(=O)(=O)c3c(C)n[nH]c3C)nn2)c1
InChIInChI=1S/C17H22N8O2S/c1-11-6-7-18-16(10-11)21-15-5-4-14(24-25-15)19-8-9-20-28(26,27)17-12(2)22-23-13(17)3/h4-7,10,20H,8-9H2,1-3H3,(H,19,24)(H,22,23)(H,18,21,25)
InChIKeyDMUNTIUALVVKAE-UHFFFAOYSA-N
XLogP1.65
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide with MolForge

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Related Compounds

4-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064548
3-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064547
3,5-dimethyl-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122289503
3,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064606
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 121064562
3-chloro-2-methyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122288723
3,5-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1H-pyrazole-4-sulfonamide
CID 122307562
4-butoxy-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 121064553
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122320936
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113046261

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide (CID 122288738) is 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide is Cc1ccnc(Nc2ccc(NCCNS(=O)(=O)c3c(C)n[nH]c3C)nn2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is DMUNTIUALVVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2S/c1-11-6-7-18-16(10-11)21-15-5-4-14(24-25-15)19-8-9-20-28(26,27)17-12(2)22-23-13(17)3/h4-7,10,20H,8-9H2,1-3H3,(H,19,24)(H,22,23)(H,18,21,25).
What are the key properties of 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 402.48 g/mol, XLogP of 1.65, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 122288738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).