3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane

C25H37N5O — CID 162065678

About 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane

3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane (PubChem CID 162065678) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane.

Molecular Properties

• Compound Name: 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane
• PubChem CID: 162065678
• Molecular Formula: C25H37N5O
• Molecular Weight: 423.61 g/mol
• Exact Mass: 423.30
• IUPAC Name: 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane
• SMILES: CC(C)C.COc1nc(-c2cc(C)c(C[C@@H](C)C(C)C)nn2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C21H27N5O.C4H10/c1-13(2)14(3)9-18-15(4)10-19(25-24-18)17-7-8-20(21(23-17)27-6)26-11-16(5)22-12-26;1-4(2)3/h7-8,10-14H,9H2,1-6H3;4H,1-3H3/t14-;/m1./s1
• InChIKey: ZAKQKKXTPSZGSH-PFEQFJNWSA-N
• XLogP: 5.85
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.61
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane?

The IUPAC name of 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane (CID 162065678) is 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane.

What is the SMILES notation for 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane?

The canonical SMILES for 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane is CC(C)C.COc1nc(-c2cc(C)c(C[C@@H](C)C(C)C)nn2)ccc1-n1cnc(C)c1.

What is the InChIKey of 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane?

The InChIKey is ZAKQKKXTPSZGSH-PFEQFJNWSA-N. The full InChI is InChI=1S/C21H27N5O.C4H10/c1-13(2)14(3)9-18-15(4)10-19(25-24-18)17-7-8-20(21(23-17)27-6)26-11-16(5)22-12-26;1-4(2)3/h7-8,10-14H,9H2,1-6H3;4H,1-3H3/t14-;/m1./s1.

What are the key properties of 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane?

3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane has a molecular weight of 423.61 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane is sourced from PubChem (CID 162065678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).