(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine

C26H27FN6O — CID 67029066

IUPAC(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
SMILESC[C@H]1CN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CCO1
InChIInChI=1S/C26H27FN6O/c1-18-17-31(13-14-34-18)25-9-3-7-21(29-25)23-16-28-24-10-11-26(30-33(23)24)32-12-4-8-22(32)19-5-2-6-20(27)15-19/h2-3,5-7,9-11,15-16,18,22H,4,8,12-14,17H2,1H3/t18-,22?/m0/s1
InChIKeyMAIMYDAAPJJQHG-HXBUSHRASA-N
MW458.54 g/mol
LogP4.50
Rot. Bonds4

About (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine

(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine (PubChem CID 67029066) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
PubChem CID67029066
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
SMILESC[C@H]1CN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CCO1
InChIInChI=1S/C26H27FN6O/c1-18-17-31(13-14-34-18)25-9-3-7-21(29-25)23-16-28-24-10-11-26(30-33(23)24)32-12-4-8-22(32)19-5-2-6-20(27)15-19/h2-3,5-7,9-11,15-16,18,22H,4,8,12-14,17H2,1H3/t18-,22?/m0/s1
InChIKeyMAIMYDAAPJJQHG-HXBUSHRASA-N
XLogP4.50
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine (CID 67029066) is (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine is C[C@H]1CN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CCO1.
What is the InChIKey of (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine?
The InChIKey is MAIMYDAAPJJQHG-HXBUSHRASA-N. The full InChI is InChI=1S/C26H27FN6O/c1-18-17-31(13-14-34-18)25-9-3-7-21(29-25)23-16-28-24-10-11-26(30-33(23)24)32-12-4-8-22(32)19-5-2-6-20(27)15-19/h2-3,5-7,9-11,15-16,18,22H,4,8,12-14,17H2,1H3/t18-,22?/m0/s1.
What are the key properties of (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine?
(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine has a molecular weight of 458.54 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine is sourced from PubChem (CID 67029066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).