2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol

C20H24F2N6O2 — CID 170631092

IUPAC2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3nc(NC[C@H]4CNC[C@@H]4F)ccc3F)n2nc1C(C)(C)O
InChIInChI=1S/C20H24F2N6O2/c1-20(2,29)19-15(30-3)6-17-25-10-14(28(17)27-19)18-12(21)4-5-16(26-18)24-8-11-7-23-9-13(11)22/h4-6,10-11,13,23,29H,7-9H2,1-3H3,(H,24,26)/t11-,13+/m1/s1
InChIKeyZDFVVKNJRPJMOY-YPMHNXCESA-N
MW418.45 g/mol
LogP2.14
Rot. Bonds6

About 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol

2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol (PubChem CID 170631092) has the molecular formula C20H24F2N6O2 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
PubChem CID170631092
Molecular FormulaC20H24F2N6O2
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3nc(NC[C@H]4CNC[C@@H]4F)ccc3F)n2nc1C(C)(C)O
InChIInChI=1S/C20H24F2N6O2/c1-20(2,29)19-15(30-3)6-17-25-10-14(28(17)27-19)18-12(21)4-5-16(26-18)24-8-11-7-23-9-13(11)22/h4-6,10-11,13,23,29H,7-9H2,1-3H3,(H,24,26)/t11-,13+/m1/s1
InChIKeyZDFVVKNJRPJMOY-YPMHNXCESA-N
XLogP2.14
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol (CID 170631092) is 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol is COc1cc2ncc(-c3nc(NC[C@H]4CNC[C@@H]4F)ccc3F)n2nc1C(C)(C)O.
What is the InChIKey of 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
The InChIKey is ZDFVVKNJRPJMOY-YPMHNXCESA-N. The full InChI is InChI=1S/C20H24F2N6O2/c1-20(2,29)19-15(30-3)6-17-25-10-14(28(17)27-19)18-12(21)4-5-16(26-18)24-8-11-7-23-9-13(11)22/h4-6,10-11,13,23,29H,7-9H2,1-3H3,(H,24,26)/t11-,13+/m1/s1.
What are the key properties of 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol has a molecular weight of 418.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol is sourced from PubChem (CID 170631092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).