5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide

C21H28N8O5S — CID 59996700

IUPAC5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide
SMILESCC[C@@H](Nc1c(Nc2c(NS(C)(=O)=O)c(C(=O)N(C)C)nn2C)c(=O)[nH][nH]c1=O)c1ccccc1
InChIInChI=1S/C21H28N8O5S/c1-6-13(12-10-8-7-9-11-12)22-15-16(20(31)25-24-19(15)30)23-18-14(27-35(5,33)34)17(26-29(18)4)21(32)28(2)3/h7-11,13,27H,6H2,1-5H3,(H2,22,25,31)(H2,23,24,30)/t13-/m1/s1
InChIKeyQPXBLGDVQCSLBL-CYBMUJFWSA-N
MW504.57 g/mol
LogP1.18
Rot. Bonds9

About 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide

5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide (PubChem CID 59996700) has the molecular formula C21H28N8O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide
PubChem CID59996700
Molecular FormulaC21H28N8O5S
Molecular Weight504.57 g/mol
Exact Mass504.19
IUPAC Name5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide
SMILESCC[C@@H](Nc1c(Nc2c(NS(C)(=O)=O)c(C(=O)N(C)C)nn2C)c(=O)[nH][nH]c1=O)c1ccccc1
InChIInChI=1S/C21H28N8O5S/c1-6-13(12-10-8-7-9-11-12)22-15-16(20(31)25-24-19(15)30)23-18-14(27-35(5,33)34)17(26-29(18)4)21(32)28(2)3/h7-11,13,27H,6H2,1-5H3,(H2,22,25,31)(H2,23,24,30)/t13-/m1/s1
InChIKeyQPXBLGDVQCSLBL-CYBMUJFWSA-N
XLogP1.18
TPSA174.08 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 51.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide 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

4-hydroxy-N,N,1-trimethyl-3-[[2-methyl-3,6-dioxo-4-(1-phenylpropylamino)-1H-pyridazin-5-yl]amino]pyrazole-5-carboxamide
CID 54714162
3-[[2-benzyl-3,6-dioxo-5-(1-phenylpropylamino)-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772629
3-[[3,6-dioxo-5-[[(1R)-1-thiophen-2-ylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 59996681
5-[[2-benzyl-3,6-dioxo-5-(1-thiophen-2-ylpropylamino)-1H-pyridazin-4-yl]amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 20772890
3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethyl-6-pyridin-2-ylbenzamide
CID 45272042
2-hydroxy-N,N-dimethyl-3-[[1-methyl-3,6-dioxo-2-phenyl-5-[[(1R)-1-phenylpropyl]amino]pyridazin-4-yl]amino]benzamide
CID 59996766
5-cyano-3-[[1,2-dimethyl-3,6-dioxo-5-(1-phenylpropylamino)pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772949
5-cyano-3-[[1,2-dimethyl-3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 59996626
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
5-amino-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 71190340
3-[(3-hydroxy-2-methyl-4-pyridinyl)amino]-4-(1-phenylpropylamino)cyclobut-3-ene-1,2-dione
CID 75283274

Frequently Asked Questions

What is the IUPAC name of 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide?
The IUPAC name of 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide (CID 59996700) is 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide is CC[C@@H](Nc1c(Nc2c(NS(C)(=O)=O)c(C(=O)N(C)C)nn2C)c(=O)[nH][nH]c1=O)c1ccccc1.
What is the InChIKey of 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide?
The InChIKey is QPXBLGDVQCSLBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H28N8O5S/c1-6-13(12-10-8-7-9-11-12)22-15-16(20(31)25-24-19(15)30)23-18-14(27-35(5,33)34)17(26-29(18)4)21(32)28(2)3/h7-11,13,27H,6H2,1-5H3,(H2,22,25,31)(H2,23,24,30)/t13-/m1/s1.
What are the key properties of 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide?
5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 1.18, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,6-dioxo-5-[[(1R)-1-phenylpropyl]amino]-1,2-dihydropyridazin-4-yl]amino]-4-(methanesulfonamido)-N,N,1-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 59996700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).