4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol

C26H22FN7O2 — CID 171062281

IUPAC4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3cc(-c4ccncc4O)ccn3)n2n1
InChIInChI=1S/C26H22FN7O2/c1-36-26-19(12-17(27)13-31-26)21-3-2-10-33(21)25-5-4-24-30-14-22(34(24)32-25)20-11-16(6-9-29-20)18-7-8-28-15-23(18)35/h4-9,11-15,21,35H,2-3,10H2,1H3/t21-/m1/s1
InChIKeyYPCLIPXPANEGDX-OAQYLSRUSA-N
MW483.51 g/mol
LogP4.44
Rot. Bonds5

About 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol

4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol (PubChem CID 171062281) has the molecular formula C26H22FN7O2 and a molecular weight of 483.51 g/mol. Its IUPAC name is 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol.

Molecular Properties

Compound Name4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol
PubChem CID171062281
Molecular FormulaC26H22FN7O2
Molecular Weight483.51 g/mol
Exact Mass483.18
IUPAC Name4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3cc(-c4ccncc4O)ccn3)n2n1
InChIInChI=1S/C26H22FN7O2/c1-36-26-19(12-17(27)13-31-26)21-3-2-10-33(21)25-5-4-24-30-14-22(34(24)32-25)20-11-16(6-9-29-20)18-7-8-28-15-23(18)35/h4-9,11-15,21,35H,2-3,10H2,1H3/t21-/m1/s1
InChIKeyYPCLIPXPANEGDX-OAQYLSRUSA-N
XLogP4.44
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol?
The IUPAC name of 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol (CID 171062281) is 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol.
What is the SMILES notation for 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol?
The canonical SMILES for 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol is COc1ncc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3cc(-c4ccncc4O)ccn3)n2n1.
What is the InChIKey of 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol?
The InChIKey is YPCLIPXPANEGDX-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H22FN7O2/c1-36-26-19(12-17(27)13-31-26)21-3-2-10-33(21)25-5-4-24-30-14-22(34(24)32-25)20-11-16(6-9-29-20)18-7-8-28-15-23(18)35/h4-9,11-15,21,35H,2-3,10H2,1H3/t21-/m1/s1.
What are the key properties of 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol?
4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol has a molecular weight of 483.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]pyridin-3-ol is sourced from PubChem (CID 171062281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).