6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C21H23N9O2 — CID 164944175

About 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 164944175) has the molecular formula C21H23N9O2 and a molecular weight of 439.51 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 164944175
• Molecular Formula: C21H23N9O2
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.24
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cncc2c1N(C)Cc1cn(C([2H])([2H])[2H])nc1-2
• InChI: InChI=1S/C21H23N9O2/c1-22-21(32)18-14(6-16(26-27-18)25-20(31)11-4-5-11)24-15-8-23-7-13-17-12(10-30(3)28-17)9-29(2)19(13)15/h6-8,10-11H,4-5,9H2,1-3H3,(H,22,32)(H2,24,25,26,31)/i1D3,3D3
• InChIKey: WHDVFLFISLEKGR-WTJPRRJNSA-N
• XLogP: 1.67
• TPSA: 129.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 164944175) is 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cncc2c1N(C)Cc1cn(C([2H])([2H])[2H])nc1-2.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is WHDVFLFISLEKGR-WTJPRRJNSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-22-21(32)18-14(6-16(26-27-18)25-20(31)11-4-5-11)24-15-8-23-7-13-17-12(10-30(3)28-17)9-29(2)19(13)15/h6-8,10-11H,4-5,9H2,1-3H3,(H,22,32)(H2,24,25,26,31)/i1D3,3D3.

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 164944175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).