[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol

C24H23FN4O — CID 121224989

IUPAC[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cc1
InChIInChI=1S/C24H23FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-9,14-15,21,30H,10-13,16H2
InChIKeyXLVWQBLLHTWXIH-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.57
Rot. Bonds4

About [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol

[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol (PubChem CID 121224989) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol
PubChem CID121224989
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cc1
InChIInChI=1S/C24H23FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-9,14-15,21,30H,10-13,16H2
InChIKeyXLVWQBLLHTWXIH-UHFFFAOYSA-N
XLogP4.57
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoroindole
CID 71585398
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine
CID 133278346
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412730
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364948
N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362794
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
CID 133271900
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
N-benzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 30362833
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264

Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol (CID 121224989) is [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol is OCc1ccc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cc1.
What is the InChIKey of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol?
The InChIKey is XLVWQBLLHTWXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-9,14-15,21,30H,10-13,16H2.
What are the key properties of [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol?
[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol has a molecular weight of 402.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 121224989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).