2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide

C25H33FN4O2 — CID 169318895

IUPAC2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@@H](NC(=O)Cn2nc(C(C)C)c(-c3cc(F)cc(C4CC4)c3)cc2=O)C1
InChIInChI=1S/C25H33FN4O2/c1-4-29-9-5-6-21(14-29)27-23(31)15-30-24(32)13-22(25(28-30)16(2)3)19-10-18(17-7-8-17)11-20(26)12-19/h10-13,16-17,21H,4-9,14-15H2,1-3H3,(H,27,31)/t21-/m1/s1
InChIKeyJWHZWOFMWCPSJP-OAQYLSRUSA-N
MW440.56 g/mol
LogP3.65
Rot. Bonds7

About 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide

2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide (PubChem CID 169318895) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
PubChem CID169318895
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@@H](NC(=O)Cn2nc(C(C)C)c(-c3cc(F)cc(C4CC4)c3)cc2=O)C1
InChIInChI=1S/C25H33FN4O2/c1-4-29-9-5-6-21(14-29)27-23(31)15-30-24(32)13-22(25(28-30)16(2)3)19-10-18(17-7-8-17)11-20(26)12-19/h10-13,16-17,21H,4-9,14-15H2,1-3H3,(H,27,31)/t21-/m1/s1
InChIKeyJWHZWOFMWCPSJP-OAQYLSRUSA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(1-ethylpiperidin-3-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363968
N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368578
2-[4-[(E)-2-chloroprop-1-enyl]-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 166975971
2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
CID 170368231
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
2-[4-(3-fluoro-5-iodophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170369537
2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318856
2-(4-aminopyrazol-1-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171325
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318868
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45246796

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide (CID 169318895) is 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide is CCN1CCC[C@@H](NC(=O)Cn2nc(C(C)C)c(-c3cc(F)cc(C4CC4)c3)cc2=O)C1.
What is the InChIKey of 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The InChIKey is JWHZWOFMWCPSJP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-4-29-9-5-6-21(14-29)27-23(31)15-30-24(32)13-22(25(28-30)16(2)3)19-10-18(17-7-8-17)11-20(26)12-19/h10-13,16-17,21H,4-9,14-15H2,1-3H3,(H,27,31)/t21-/m1/s1.
What are the key properties of 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide has a molecular weight of 440.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide is sourced from PubChem (CID 169318895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).