4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile

C27H24F2N6O — CID 58335688

IUPAC4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)cc1N1CCOCC1
InChIInChI=1S/C27H24F2N6O/c28-20-5-6-22(29)21(15-20)23-2-1-9-34(23)27-8-7-26-31-17-25(35(26)32-27)18-3-4-19(16-30)24(14-18)33-10-12-36-13-11-33/h3-8,14-15,17,23H,1-2,9-13H2
InChIKeyBDVUQIJRHXJTLK-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.72
Rot. Bonds4

About 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile

4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile (PubChem CID 58335688) has the molecular formula C27H24F2N6O and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile
PubChem CID58335688
Molecular FormulaC27H24F2N6O
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC Name4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)cc1N1CCOCC1
InChIInChI=1S/C27H24F2N6O/c28-20-5-6-22(29)21(15-20)23-2-1-9-34(23)27-8-7-26-31-17-25(35(26)32-27)18-3-4-19(16-30)24(14-18)33-10-12-36-13-11-33/h3-8,14-15,17,23H,1-2,9-13H2
InChIKeyBDVUQIJRHXJTLK-UHFFFAOYSA-N
XLogP4.72
TPSA69.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-fluorobenzonitrile
CID 44520777
4-[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]aniline
CID 89131016
4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 58335753
5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzonitrile
CID 58335511
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-amine
CID 58334496
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 58335520
3-cyano-N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 146635888
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 67308144
1-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-iodourea
CID 87369260
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxamide
CID 58334520
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide
CID 139496082

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile?
The IUPAC name of 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile (CID 58335688) is 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile?
The canonical SMILES for 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile is N#Cc1ccc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)nn23)cc1N1CCOCC1.
What is the InChIKey of 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile?
The InChIKey is BDVUQIJRHXJTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O/c28-20-5-6-22(29)21(15-20)23-2-1-9-34(23)27-8-7-26-31-17-25(35(26)32-27)18-3-4-19(16-30)24(14-18)33-10-12-36-13-11-33/h3-8,14-15,17,23H,1-2,9-13H2.
What are the key properties of 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile?
4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile has a molecular weight of 486.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 58335688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).