N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H24ClFN4O3 — CID 60617618

IUPACN-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1
InChIInChI=1S/C23H24ClFN4O3/c1-14(2)28(3)23(32)16-6-9-18(24)20(12-16)26-22(31)19-10-11-21(30)29(27-19)13-15-4-7-17(25)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,31)
InChIKeyFPHSQBGQPDHMER-UHFFFAOYSA-N
MW458.92 g/mol
LogP4.08
Rot. Bonds6

About N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60617618) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID60617618
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC NameN-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1
InChIInChI=1S/C23H24ClFN4O3/c1-14(2)28(3)23(32)16-6-9-18(24)20(12-16)26-22(31)19-10-11-21(30)29(27-19)13-15-4-7-17(25)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,31)
InChIKeyFPHSQBGQPDHMER-UHFFFAOYSA-N
XLogP4.08
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55777377
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
3-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237029
N,1-bis[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55771101
2-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]acetic acid
CID 119136384
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
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-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 87025957
N-[4-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55765041
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800342
1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741614
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55978031

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60617618) is N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1.
What is the InChIKey of N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FPHSQBGQPDHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-14(2)28(3)23(32)16-6-9-18(24)20(12-16)26-22(31)19-10-11-21(30)29(27-19)13-15-4-7-17(25)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,31).
What are the key properties of N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 458.92 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60617618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).