6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C25H24N8O3 — CID 171604055

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 171604055) has the molecular formula C25H24N8O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 171604055
• Molecular Formula: C25H24N8O3
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.22
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cc(-c3ccn[nH]3)ccn2)c1OC
• InChI: InChI=1S/C25H24N8O3/c1-26-25(35)22-20(13-21(32-33-22)30-24(34)14-6-7-14)29-18-5-3-4-16(23(18)36-2)19-12-15(8-10-27-19)17-9-11-28-31-17/h3-5,8-14H,6-7H2,1-2H3,(H,26,35)(H,28,31)(H2,29,30,32,34)/i1D3
• InChIKey: TYPMUYCOMUDDEC-FIBGUPNXSA-N
• XLogP: 3.39
• TPSA: 146.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 171604055) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cc(-c3ccn[nH]3)ccn2)c1OC.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is TYPMUYCOMUDDEC-FIBGUPNXSA-N. The full InChI is InChI=1S/C25H24N8O3/c1-26-25(35)22-20(13-21(32-33-22)30-24(34)14-6-7-14)29-18-5-3-4-16(23(18)36-2)19-12-15(8-10-27-19)17-9-11-28-31-17/h3-5,8-14H,6-7H2,1-2H3,(H,26,35)(H,28,31)(H2,29,30,32,34)/i1D3.

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 3.39, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 171604055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).