2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile

C23H19ClFN7O3 — CID 170760274

About 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile

2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile (PubChem CID 170760274) has the molecular formula C23H19ClFN7O3 and a molecular weight of 498.92 g/mol. Its IUPAC name is 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile.

Molecular Properties

• Compound Name: 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile
• PubChem CID: 170760274
• Molecular Formula: C23H19ClFN7O3
• Molecular Weight: 498.92 g/mol
• Exact Mass: 498.14
• IUPAC Name: 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile
• SMILES: [2H]C([2H])([2H])Oc1nc(-c2cnn(C)c2-c2c(F)c(Cl)cc(OC3CC3)c2C#N)cc2c(CN)n[nH]c(=O)c12
• InChI: InChI=1S/C23H19ClFN7O3/c1-32-21(18-12(7-26)17(35-10-3-4-10)6-14(24)20(18)25)13(9-28-32)15-5-11-16(8-27)30-31-22(33)19(11)23(29-15)34-2/h5-6,9-10H,3-4,8,27H2,1-2H3,(H,31,33)/i2D3
• InChIKey: LHYDMZOERONQCI-BMSJAHLVSA-N
• XLogP: 3.06
• TPSA: 144.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.92
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile?

The IUPAC name of 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile (CID 170760274) is 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile.

What is the SMILES notation for 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile?

The canonical SMILES for 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile is [2H]C([2H])([2H])Oc1nc(-c2cnn(C)c2-c2c(F)c(Cl)cc(OC3CC3)c2C#N)cc2c(CN)n[nH]c(=O)c12.

What is the InChIKey of 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile?

The InChIKey is LHYDMZOERONQCI-BMSJAHLVSA-N. The full InChI is InChI=1S/C23H19ClFN7O3/c1-32-21(18-12(7-26)17(35-10-3-4-10)6-14(24)20(18)25)13(9-28-32)15-5-11-16(8-27)30-31-22(33)19(11)23(29-15)34-2/h5-6,9-10H,3-4,8,27H2,1-2H3,(H,31,33)/i2D3.

What are the key properties of 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile?

2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile has a molecular weight of 498.92 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(aminomethyl)-4-oxo-5-(trideuteriomethoxy)-3H-pyrido[3,4-d]pyridazin-7-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile is sourced from PubChem (CID 170760274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).