[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone

C25H28N10O — CID 165093633

About [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone

[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone (PubChem CID 165093633) has the molecular formula C25H28N10O and a molecular weight of 484.57 g/mol. Its IUPAC name is [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

• Compound Name: [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone
• PubChem CID: 165093633
• Molecular Formula: C25H28N10O
• Molecular Weight: 484.57 g/mol
• Exact Mass: 484.24
• IUPAC Name: [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2C3CCC2CN(C(=O)c2ccc(-n4cc(C)cn4)nn2)C3)c1
• InChI: InChI=1S/C25H28N10O/c1-15-8-21(27-22-10-17(3)29-31-22)28-24(9-15)35-18-4-5-19(35)14-33(13-18)25(36)20-6-7-23(32-30-20)34-12-16(2)11-26-34/h6-12,18-19H,4-5,13-14H2,1-3H3,(H2,27,28,29,31)
• InChIKey: PPFFUEOMSWAVFR-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 120.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.57
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone?

The IUPAC name of [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone (CID 165093633) is [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone.

What is the SMILES notation for [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone?

The canonical SMILES for [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone is Cc1cc(Nc2cc(C)[nH]n2)nc(N2C3CCC2CN(C(=O)c2ccc(-n4cc(C)cn4)nn2)C3)c1.

What is the InChIKey of [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone?

The InChIKey is PPFFUEOMSWAVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O/c1-15-8-21(27-22-10-17(3)29-31-22)28-24(9-15)35-18-4-5-19(35)14-33(13-18)25(36)20-6-7-23(32-30-20)34-12-16(2)11-26-34/h6-12,18-19H,4-5,13-14H2,1-3H3,(H2,27,28,29,31).

What are the key properties of [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone?

[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone has a molecular weight of 484.57 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 165093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).