1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H27FN4O2 — CID 87025957

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)CN1CCCC1
InChIInChI=1S/C20H27FN4O2/c1-15(13-24-10-2-3-11-24)12-22-20(27)18-8-9-19(26)25(23-18)14-16-4-6-17(21)7-5-16/h4-7,15H,2-3,8-14H2,1H3,(H,22,27)
InChIKeyRWOQKUSHQUJKAW-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.15
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 87025957) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID87025957
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)CN1CCCC1
InChIInChI=1S/C20H27FN4O2/c1-15(13-24-10-2-3-11-24)12-22-20(27)18-8-9-19(26)25(23-18)14-16-4-6-17(21)7-5-16/h4-7,15H,2-3,8-14H2,1H3,(H,22,27)
InChIKeyRWOQKUSHQUJKAW-UHFFFAOYSA-N
XLogP2.15
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237029
2-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]acetic acid
CID 119136384
N-[2-(3,5-difluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60610295
1-[(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55772635
4-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229584
1-[(4-fluorophenyl)methyl]-6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55777486
1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60611449
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
N,1-bis[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55771101
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55978031
1-benzyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51953298
N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55783925

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 87025957) is 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)CN1CCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RWOQKUSHQUJKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-15(13-24-10-2-3-11-24)12-22-20(27)18-8-9-19(26)25(23-18)14-16-4-6-17(21)7-5-16/h4-7,15H,2-3,8-14H2,1H3,(H,22,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 87025957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).