[4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone

C22H24FN7O — CID 154839175

IUPAC[4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC(=Cc2ccccc2F)CC1
InChIInChI=1S/C22H24FN7O/c23-19-4-2-1-3-18(19)15-16-7-11-29(12-8-16)22(31)17-9-13-28(14-10-17)21-6-5-20-24-26-27-30(20)25-21/h1-6,15,17H,7-14H2
InChIKeyDDYMGHHFOPXJFO-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.58
Rot. Bonds3

About [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone

[4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone (PubChem CID 154839175) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone
PubChem CID154839175
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name[4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC(=Cc2ccccc2F)CC1
InChIInChI=1S/C22H24FN7O/c23-19-4-2-1-3-18(19)15-16-7-11-29(12-8-16)22(31)17-9-13-28(14-10-17)21-6-5-20-24-26-27-30(20)25-21/h1-6,15,17H,7-14H2
InChIKeyDDYMGHHFOPXJFO-UHFFFAOYSA-N
XLogP2.58
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 24666317
3-[1-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154805794
[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 30839314
[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 50783279
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanone
CID 50783327
[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50783266
N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30822093
N-[2-(difluoromethylsulfanyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748614
N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78861446
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 47060299
[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 112827879
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 154839872

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone (CID 154839175) is [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC(=Cc2ccccc2F)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The InChIKey is DDYMGHHFOPXJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c23-19-4-2-1-3-18(19)15-16-7-11-29(12-8-16)22(31)17-9-13-28(14-10-17)21-6-5-20-24-26-27-30(20)25-21/h1-6,15,17H,7-14H2.
What are the key properties of [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone?
[4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone has a molecular weight of 421.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methylidene]piperidin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 154839175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).