4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine

C27H29FN6O2 — CID 58335676

IUPAC4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(OCCN5CCOCC5)n4)n3n2)c1
InChIInChI=1S/C27H29FN6O2/c28-21-5-1-4-20(18-21)23-7-3-11-33(23)26-10-9-25-29-19-24(34(25)31-26)22-6-2-8-27(30-22)36-17-14-32-12-15-35-16-13-32/h1-2,4-6,8-10,18-19,23H,3,7,11-17H2
InChIKeyNZVQDKFBLJVLRU-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.98
Rot. Bonds7

About 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine

4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine (PubChem CID 58335676) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine
PubChem CID58335676
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(OCCN5CCOCC5)n4)n3n2)c1
InChIInChI=1S/C27H29FN6O2/c28-21-5-1-4-20(18-21)23-7-3-11-33(23)26-10-9-25-29-19-24(34(25)31-26)22-6-2-8-27(30-22)36-17-14-32-12-15-35-16-13-32/h1-2,4-6,8-10,18-19,23H,3,7,11-17H2
InChIKeyNZVQDKFBLJVLRU-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine (CID 58335676) is 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine is Fc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(OCCN5CCOCC5)n4)n3n2)c1.
What is the InChIKey of 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine?
The InChIKey is NZVQDKFBLJVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c28-21-5-1-4-20(18-21)23-7-3-11-33(23)26-10-9-25-29-19-24(34(25)31-26)22-6-2-8-27(30-22)36-17-14-32-12-15-35-16-13-32/h1-2,4-6,8-10,18-19,23H,3,7,11-17H2.
What are the key properties of 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine?
4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine has a molecular weight of 488.57 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]oxy]ethyl]morpholine is sourced from PubChem (CID 58335676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).