6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C21H20F2N6O3S — CID 171437300

About 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171437300) has the molecular formula C21H20F2N6O3S and a molecular weight of 477.51 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• PubChem CID: 171437300
• Molecular Formula: C21H20F2N6O3S
• Molecular Weight: 477.51 g/mol
• Exact Mass: 477.15
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1csc2cnn(CC3CC3(F)F)c(=O)c12
• InChI: InChI=1S/C21H20F2N6O3S/c1-24-19(31)12-6-25-16(28-18(30)10-2-3-10)4-13(12)27-14-9-33-15-7-26-29(20(32)17(14)15)8-11-5-21(11,22)23/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,24,31)(H2,25,27,28,30)/i1D3
• InChIKey: ZMEIEBUFOVCQOM-FIBGUPNXSA-N
• XLogP: 2.96
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.51
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171437300) is 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1csc2cnn(CC3CC3(F)F)c(=O)c12.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The InChIKey is ZMEIEBUFOVCQOM-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H20F2N6O3S/c1-24-19(31)12-6-25-16(28-18(30)10-2-3-10)4-13(12)27-14-9-33-15-7-26-29(20(32)17(14)15)8-11-5-21(11,22)23/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,24,31)(H2,25,27,28,30)/i1D3.

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 477.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171437300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).