2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol

C24H23F2N5O2 — CID 176882774

IUPAC2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol
SMILESCOc1ccc(F)cc1[C@H]1C[C@H](F)CN1c1ccc2ncc(-c3cc(CCO)ccn3)n2n1
InChIInChI=1S/C24H23F2N5O2/c1-33-22-3-2-16(25)11-18(22)20-12-17(26)14-30(20)24-5-4-23-28-13-21(31(23)29-24)19-10-15(7-9-32)6-8-27-19/h2-6,8,10-11,13,17,20,32H,7,9,12,14H2,1H3/t17-,20+/m0/s1
InChIKeyOJPPKZMGKTUFFN-FXAWDEMLSA-N
MW451.48 g/mol
LogP3.76
Rot. Bonds6

About 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol

2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol (PubChem CID 176882774) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol
PubChem CID176882774
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol
SMILESCOc1ccc(F)cc1[C@H]1C[C@H](F)CN1c1ccc2ncc(-c3cc(CCO)ccn3)n2n1
InChIInChI=1S/C24H23F2N5O2/c1-33-22-3-2-16(25)11-18(22)20-12-17(26)14-30(20)24-5-4-23-28-13-21(31(23)29-24)19-10-15(7-9-32)6-8-27-19/h2-6,8,10-11,13,17,20,32H,7,9,12,14H2,1H3/t17-,20+/m0/s1
InChIKeyOJPPKZMGKTUFFN-FXAWDEMLSA-N
XLogP3.76
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol?
The IUPAC name of 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol (CID 176882774) is 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol.
What is the SMILES notation for 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol?
The canonical SMILES for 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol is COc1ccc(F)cc1[C@H]1C[C@H](F)CN1c1ccc2ncc(-c3cc(CCO)ccn3)n2n1.
What is the InChIKey of 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol?
The InChIKey is OJPPKZMGKTUFFN-FXAWDEMLSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-33-22-3-2-16(25)11-18(22)20-12-17(26)14-30(20)24-5-4-23-28-13-21(31(23)29-24)19-10-15(7-9-32)6-8-27-19/h2-6,8,10-11,13,17,20,32H,7,9,12,14H2,1H3/t17-,20+/m0/s1.
What are the key properties of 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol?
2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol has a molecular weight of 451.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]ethanol is sourced from PubChem (CID 176882774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).