2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol

C27H25FN8O — CID 58335804

IUPAC2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nccc(-c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)n1
InChIInChI=1S/C27H25FN8O/c28-19-5-1-4-18(16-19)23-8-3-14-35(23)26-10-9-25-31-17-24(36(25)34-26)22-7-2-6-20(32-22)21-11-12-29-27(33-21)30-13-15-37/h1-2,4-7,9-12,16-17,23,37H,3,8,13-15H2,(H,29,30,33)/t23-/m1/s1
InChIKeyYSTDRPPROMSLCP-HSZRJFAPSA-N
MW496.55 g/mol
LogP4.13
Rot. Bonds7

About 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol

2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol (PubChem CID 58335804) has the molecular formula C27H25FN8O and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol
PubChem CID58335804
Molecular FormulaC27H25FN8O
Molecular Weight496.55 g/mol
Exact Mass496.21
IUPAC Name2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nccc(-c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)n1
InChIInChI=1S/C27H25FN8O/c28-19-5-1-4-18(16-19)23-8-3-14-35(23)26-10-9-25-31-17-24(36(25)34-26)22-7-2-6-20(32-22)21-11-12-29-27(33-21)30-13-15-37/h1-2,4-7,9-12,16-17,23,37H,3,8,13-15H2,(H,29,30,33)/t23-/m1/s1
InChIKeyYSTDRPPROMSLCP-HSZRJFAPSA-N
XLogP4.13
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol (CID 58335804) is 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol is OCCNc1nccc(-c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)n1.
What is the InChIKey of 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is YSTDRPPROMSLCP-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H25FN8O/c28-19-5-1-4-18(16-19)23-8-3-14-35(23)26-10-9-25-31-17-24(36(25)34-26)22-7-2-6-20(32-22)21-11-12-29-27(33-21)30-13-15-37/h1-2,4-7,9-12,16-17,23,37H,3,8,13-15H2,(H,29,30,33)/t23-/m1/s1.
What are the key properties of 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 496.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 58335804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).