[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone

C20H19F3N6O2 — CID 122345938

IUPAC[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1F
InChIInChI=1S/C20H19F3N6O2/c1-12-5-6-29(26-12)16-4-3-15(24-25-16)27-7-9-28(10-8-27)20(30)13-11-14(21)18(23)19(31-2)17(13)22/h3-6,11H,7-10H2,1-2H3
InChIKeyOVONZCYYLYGCHN-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.36
Rot. Bonds4

About [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone

[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone (PubChem CID 122345938) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
PubChem CID122345938
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1F
InChIInChI=1S/C20H19F3N6O2/c1-12-5-6-29(26-12)16-4-3-15(24-25-16)27-7-9-28(10-8-27)20(30)13-11-14(21)18(23)19(31-2)17(13)22/h3-6,11H,7-10H2,1-2H3
InChIKeyOVONZCYYLYGCHN-UHFFFAOYSA-N
XLogP2.36
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034120
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122347436
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122340857
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 122345827
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122351131
(2-fluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70703320
N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 121034121
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345889

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The IUPAC name of [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone (CID 122345938) is [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone is COc1c(F)c(F)cc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c1F.
What is the InChIKey of [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The InChIKey is OVONZCYYLYGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-12-5-6-29(26-12)16-4-3-15(24-25-16)27-7-9-28(10-8-27)20(30)13-11-14(21)18(23)19(31-2)17(13)22/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone has a molecular weight of 432.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 122345938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).