2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine

C25H29FN6O2 — CID 175852500

IUPAC2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine
SMILESCOc1cc(-c2cc(OC)c(-c3ccc(N4CCC(C)(N)C4C4CCC4)nn3)cc2F)cnn1
InChIInChI=1S/C25H29FN6O2/c1-25(27)9-10-32(24(25)15-5-4-6-15)22-8-7-20(29-30-22)18-12-19(26)17(13-21(18)33-2)16-11-23(34-3)31-28-14-16/h7-8,11-15,24H,4-6,9-10,27H2,1-3H3
InChIKeyGXJYRUARHPHVEN-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.85
Rot. Bonds6

About 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine

2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine (PubChem CID 175852500) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine
PubChem CID175852500
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine
SMILESCOc1cc(-c2cc(OC)c(-c3ccc(N4CCC(C)(N)C4C4CCC4)nn3)cc2F)cnn1
InChIInChI=1S/C25H29FN6O2/c1-25(27)9-10-32(24(25)15-5-4-6-15)22-8-7-20(29-30-22)18-12-19(26)17(13-21(18)33-2)16-11-23(34-3)31-28-14-16/h7-8,11-15,24H,4-6,9-10,27H2,1-3H3
InChIKeyGXJYRUARHPHVEN-UHFFFAOYSA-N
XLogP3.85
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine?
The IUPAC name of 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine (CID 175852500) is 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine is COc1cc(-c2cc(OC)c(-c3ccc(N4CCC(C)(N)C4C4CCC4)nn3)cc2F)cnn1.
What is the InChIKey of 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine?
The InChIKey is GXJYRUARHPHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-25(27)9-10-32(24(25)15-5-4-6-15)22-8-7-20(29-30-22)18-12-19(26)17(13-21(18)33-2)16-11-23(34-3)31-28-14-16/h7-8,11-15,24H,4-6,9-10,27H2,1-3H3.
What are the key properties of 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine?
2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine has a molecular weight of 464.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[6-[5-fluoro-2-methoxy-4-(6-methoxypyridazin-4-yl)phenyl]pyridazin-3-yl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 175852500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).