5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

C18H18ClFN6O — CID 138471782

IUPAC5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCCC(c1cncc(F)c1)n1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H18ClFN6O/c1-2-14(11-5-12(20)7-21-6-11)26-10-22-13-9-25(4-3-15(13)26)16-8-23-24-18(27)17(16)19/h5-8,10,14H,2-4,9H2,1H3,(H,24,27)
InChIKeyYVMUFBWYODKMHD-UHFFFAOYSA-N
MW388.83 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138471782) has the molecular formula C18H18ClFN6O and a molecular weight of 388.83 g/mol. Its IUPAC name is 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138471782
Molecular FormulaC18H18ClFN6O
Molecular Weight388.83 g/mol
Exact Mass388.12
IUPAC Name5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCCC(c1cncc(F)c1)n1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H18ClFN6O/c1-2-14(11-5-12(20)7-21-6-11)26-10-22-13-9-25(4-3-15(13)26)16-8-23-24-18(27)17(16)19/h5-8,10,14H,2-4,9H2,1H3,(H,24,27)
InChIKeyYVMUFBWYODKMHD-UHFFFAOYSA-N
XLogP2.72
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138471782) is 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is CCC(c1cncc(F)c1)n1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is YVMUFBWYODKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O/c1-2-14(11-5-12(20)7-21-6-11)26-10-22-13-9-25(4-3-15(13)26)16-8-23-24-18(27)17(16)19/h5-8,10,14H,2-4,9H2,1H3,(H,24,27).
What are the key properties of 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 388.83 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).