2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C26H30N6O — CID 11554040

IUPAC2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1
InChIInChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
InChIKeyJBAFEJCXHMAIBL-GOSISDBHSA-N
MW442.57 g/mol
LogP4.61
Rot. Bonds7

About 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 11554040) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID11554040
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1
InChIInChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
InChIKeyJBAFEJCXHMAIBL-GOSISDBHSA-N
XLogP4.61
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 11554040) is 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is CCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1.
What is the InChIKey of 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is JBAFEJCXHMAIBL-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 442.57 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 11554040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).