N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide

C22H28FN5O — CID 133287682

IUPACN-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C22H28FN5O/c1-16(22(29)24-19-4-2-3-5-19)27-12-14-28(15-13-27)21-11-10-20(25-26-21)17-6-8-18(23)9-7-17/h6-11,16,19H,2-5,12-15H2,1H3,(H,24,29)
InChIKeyJQPMMKYQGAULNK-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.85
Rot. Bonds5

About N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide (PubChem CID 133287682) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
PubChem CID133287682
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC NameN-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C22H28FN5O/c1-16(22(29)24-19-4-2-3-5-19)27-12-14-28(15-13-27)21-11-10-20(25-26-21)17-6-8-18(23)9-7-17/h6-11,16,19H,2-5,12-15H2,1H3,(H,24,29)
InChIKeyJQPMMKYQGAULNK-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 95332454
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51626907
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide (CID 133287682) is N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide?
The InChIKey is JQPMMKYQGAULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-16(22(29)24-19-4-2-3-5-19)27-12-14-28(15-13-27)21-11-10-20(25-26-21)17-6-8-18(23)9-7-17/h6-11,16,19H,2-5,12-15H2,1H3,(H,24,29).
What are the key properties of N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide has a molecular weight of 397.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 133287682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).