1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate

C19H30FN5O3 — CID 67011723

IUPAC1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCN(c2ccc(C(=O)NCCC(C)C)nn2)CC1
InChIInChI=1S/C19H30FN5O3/c1-4-5-16(20)28-19(27)25-12-10-24(11-13-25)17-7-6-15(22-23-17)18(26)21-9-8-14(2)3/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,21,26)
InChIKeyUAJWRUPQBGPEBE-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.61
Rot. Bonds8

About 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate

1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 67011723) has the molecular formula C19H30FN5O3 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID67011723
Molecular FormulaC19H30FN5O3
Molecular Weight395.48 g/mol
Exact Mass395.23
IUPAC Name1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCN(c2ccc(C(=O)NCCC(C)C)nn2)CC1
InChIInChI=1S/C19H30FN5O3/c1-4-5-16(20)28-19(27)25-12-10-24(11-13-25)17-7-6-15(22-23-17)18(26)21-9-8-14(2)3/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,21,26)
InChIKeyUAJWRUPQBGPEBE-UHFFFAOYSA-N
XLogP2.61
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
N-(3-methylbutyl)-6-[4-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 86597212
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109115372
6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731528
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593
6-chloropyridazine-3-carboxylic acid;6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 159973210
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
ethyl 4-[6-[(4-ethoxyphenyl)carbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109123840

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate (CID 67011723) is 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate is CCCC(F)OC(=O)N1CCN(c2ccc(C(=O)NCCC(C)C)nn2)CC1.
What is the InChIKey of 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is UAJWRUPQBGPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O3/c1-4-5-16(20)28-19(27)25-12-10-24(11-13-25)17-7-6-15(22-23-17)18(26)21-9-8-14(2)3/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,21,26).
What are the key properties of 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate?
1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 395.48 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 67011723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).