6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

C19H21N5O4S — CID 171612375

IUPAC6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C19H21N5O4S/c1-20-19(26)17-14(10-16(23-24-17)22-18(25)11-6-7-11)21-13-4-2-3-5-15(13)29(27,28)12-8-9-12/h2-5,10-12H,6-9H2,1H3,(H,20,26)(H2,21,22,23,25)/i1D3
InChIKeyTTWYYCSAIVPKEC-FIBGUPNXSA-N
MW418.49 g/mol
LogP1.86
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 171612375) has the molecular formula C19H21N5O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID171612375
Molecular FormulaC19H21N5O4S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C19H21N5O4S/c1-20-19(26)17-14(10-16(23-24-17)22-18(25)11-6-7-11)21-13-4-2-3-5-15(13)29(27,28)12-8-9-12/h2-5,10-12H,6-9H2,1H3,(H,20,26)(H2,21,22,23,25)/i1D3
InChIKeyTTWYYCSAIVPKEC-FIBGUPNXSA-N
XLogP1.86
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-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

6-(cyclopropanecarbonylamino)-4-[(3-cyclopropylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166130739
6-(cyclopropanecarbonylamino)-4-[[5-(2-hydroxypropan-2-yl)-3-methylsulfonyl-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171456823
4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 138911330
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
methyl N-[5-[2-(methanesulfonamido)anilino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 168736586
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
6-(cyclopropanecarbonylamino)-4-[3-[5-(methanesulfonamido)-1,3-thiazol-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584933
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
4-[3-(5-amino-1,3-thiazol-2-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584853
6-(cyclopropanecarbonylamino)-4-[3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155535582
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 167621694
6-(cyclopropanecarbonylamino)-4-[3-[5-(diethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028701

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 171612375) is 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(=O)(=O)C1CC1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is TTWYYCSAIVPKEC-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-20-19(26)17-14(10-16(23-24-17)22-18(25)11-6-7-11)21-13-4-2-3-5-15(13)29(27,28)12-8-9-12/h2-5,10-12H,6-9H2,1H3,(H,20,26)(H2,21,22,23,25)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-(2-cyclopropylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 171612375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).