6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)

C53H61F2N27O8 — CID 167711350

IUPAC6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(N)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CCCF)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CCCF)cc1Nc1nccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/2C19H22FN9O3.C15H17N9O2/c2*1-21-19(31)16-12(9-14(26-27-16)25-15(30)5-4-7-20)24-18-17(32-3)11(6-8-22-18)13-10-23-29(2)28-13;1-17-15(25)12-9(6-11(16)21-22-12)20-14-13(26-3)8(4-5-18-14)10-7-19-24(2)23-10/h2*6,8-10H,4-5,7H2,1-3H3,(H,21,31)(H2,22,24,25,26,30);4-7H,1-3H3,(H,17,25)(H3,16,18,20,21)/i3*1D3
InChIKeyZWRKRUPDFQTVJG-LXHUWTABSA-N
MW1251.30 g/mol
LogP3.30
Rot. Bonds26

About 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)

6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) (PubChem CID 167711350) has the molecular formula C53H61F2N27O8 and a molecular weight of 1251.30 g/mol. Its IUPAC name is 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide).

Molecular Properties

Compound Name6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
PubChem CID167711350
Molecular FormulaC53H61F2N27O8
Molecular Weight1251.30 g/mol
Exact Mass1250.57
IUPAC Name6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(N)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CCCF)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CCCF)cc1Nc1nccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/2C19H22FN9O3.C15H17N9O2/c2*1-21-19(31)16-12(9-14(26-27-16)25-15(30)5-4-7-20)24-18-17(32-3)11(6-8-22-18)13-10-23-29(2)28-13;1-17-15(25)12-9(6-11(16)21-22-12)20-14-13(26-3)8(4-5-18-14)10-7-19-24(2)23-10/h2*6,8-10H,4-5,7H2,1-3H3,(H,21,31)(H2,22,24,25,26,30);4-7H,1-3H3,(H,17,25)(H3,16,18,20,21)/i3*1D3
InChIKeyZWRKRUPDFQTVJG-LXHUWTABSA-N
XLogP3.30
TPSA443.44 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.30
LogP ≤ 53.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?
The IUPAC name of 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) (CID 167711350) is 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide).
What is the SMILES notation for 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?
The canonical SMILES for 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) is [2H]C([2H])([2H])NC(=O)c1nnc(N)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CCCF)cc1Nc1nccc(-c2cnn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)CCCF)cc1Nc1nccc(-c2cnn(C)n2)c1OC.
What is the InChIKey of 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?
The InChIKey is ZWRKRUPDFQTVJG-LXHUWTABSA-N. The full InChI is InChI=1S/2C19H22FN9O3.C15H17N9O2/c2*1-21-19(31)16-12(9-14(26-27-16)25-15(30)5-4-7-20)24-18-17(32-3)11(6-8-22-18)13-10-23-29(2)28-13;1-17-15(25)12-9(6-11(16)21-22-12)20-14-13(26-3)8(4-5-18-14)10-7-19-24(2)23-10/h2*6,8-10H,4-5,7H2,1-3H3,(H,21,31)(H2,22,24,25,26,30);4-7H,1-3H3,(H,17,25)(H3,16,18,20,21)/i3*1D3.
What are the key properties of 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)?
6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) has a molecular weight of 1251.30 g/mol, XLogP of 3.30, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide) is sourced from PubChem (CID 167711350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).