[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone

C25H26ClFN6O — CID 121071094

IUPAC[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2ccc(-c3cccnc3)nn2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C25H26ClFN6O/c26-21-15-20(5-6-22(21)27)31-11-13-32(14-12-31)25(34)19-4-2-10-33(17-19)24-8-7-23(29-30-24)18-3-1-9-28-16-18/h1,3,5-9,15-16,19H,2,4,10-14,17H2
InChIKeyGZIZKAFYGLZSIG-UHFFFAOYSA-N
MW480.98 g/mol
LogP3.90
Rot. Bonds4

About [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone

[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 121071094) has the molecular formula C25H26ClFN6O and a molecular weight of 480.98 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
PubChem CID121071094
Molecular FormulaC25H26ClFN6O
Molecular Weight480.98 g/mol
Exact Mass480.18
IUPAC Name[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2ccc(-c3cccnc3)nn2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C25H26ClFN6O/c26-21-15-20(5-6-22(21)27)31-11-13-32(14-12-31)25(34)19-4-2-10-33(17-19)24-8-7-23(29-30-24)18-3-1-9-28-16-18/h1,3,5-9,15-16,19H,2,4,10-14,17H2
InChIKeyGZIZKAFYGLZSIG-UHFFFAOYSA-N
XLogP3.90
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118547
6-[(3R)-3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one
CID 97104621
N-(2,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070992
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557517
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557518
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90601157
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071029
N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070949

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone (CID 121071094) is [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone is O=C(C1CCCN(c2ccc(-c3cccnc3)nn2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?
The InChIKey is GZIZKAFYGLZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6O/c26-21-15-20(5-6-22(21)27)31-11-13-32(14-12-31)25(34)19-4-2-10-33(17-19)24-8-7-23(29-30-24)18-3-1-9-28-16-18/h1,3,5-9,15-16,19H,2,4,10-14,17H2.
What are the key properties of [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 480.98 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 121071094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).