N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

C21H24FN7O — CID 16839166

IUPACN-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1nn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)c(C)c1C
InChIInChI=1S/C21H24FN7O/c1-14-15(2)26-29(16(14)3)20-9-8-19(24-25-20)27-10-12-28(13-11-27)21(30)23-18-6-4-17(22)5-7-18/h4-9H,10-13H2,1-3H3,(H,23,30)
InChIKeyOVWBDTBIISBFJU-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.08
Rot. Bonds3

About N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 16839166) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID16839166
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC NameN-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1nn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)c(C)c1C
InChIInChI=1S/C21H24FN7O/c1-14-15(2)26-29(16(14)3)20-9-8-19(24-25-20)27-10-12-28(13-11-27)21(30)23-18-6-4-17(22)5-7-18/h4-9H,10-13H2,1-3H3,(H,23,30)
InChIKeyOVWBDTBIISBFJU-UHFFFAOYSA-N
XLogP3.08
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 16839166) is N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is Cc1nn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)c(C)c1C.
What is the InChIKey of N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is OVWBDTBIISBFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-14-15(2)26-29(16(14)3)20-9-8-19(24-25-20)27-10-12-28(13-11-27)21(30)23-18-6-4-17(22)5-7-18/h4-9H,10-13H2,1-3H3,(H,23,30).
What are the key properties of N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 16839166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).