3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine

C21H24FN5 — CID 97195094

IUPAC3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine
SMILESCC(C)n1ccnc1[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C21H24FN5/c1-15(2)27-13-11-23-21(27)17-4-3-12-26(14-17)20-10-9-19(24-25-20)16-5-7-18(22)8-6-16/h5-11,13,15,17H,3-4,12,14H2,1-2H3/t17-/m1/s1
InChIKeyOIKMDHIAKYZNSB-QGZVFWFLSA-N
MW365.46 g/mol
LogP4.44
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine

3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine (PubChem CID 97195094) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine
PubChem CID97195094
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine
SMILESCC(C)n1ccnc1[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C21H24FN5/c1-15(2)27-13-11-23-21(27)17-4-3-12-26(14-17)20-10-9-19(24-25-20)16-5-7-18(22)8-6-16/h5-11,13,15,17H,3-4,12,14H2,1-2H3/t17-/m1/s1
InChIKeyOIKMDHIAKYZNSB-QGZVFWFLSA-N
XLogP4.44
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine
CID 133448850
2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 97192607
[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384643
8-chloro-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]quinoline
CID 72919508
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
N,N-dimethyl-6-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 72864312
2-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 97187298
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
CID 133287682

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine (CID 97195094) is 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine is CC(C)n1ccnc1[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine?
The InChIKey is OIKMDHIAKYZNSB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24FN5/c1-15(2)27-13-11-23-21(27)17-4-3-12-26(14-17)20-10-9-19(24-25-20)16-5-7-18(22)8-6-16/h5-11,13,15,17H,3-4,12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine?
3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine has a molecular weight of 365.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 97195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).