5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide

C23H25N7O3 — CID 126937172

IUPAC5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(n2nc(-n3cncn3)ccc2=O)CC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H25N7O3/c31-21-11-10-20(29-15-24-14-25-29)27-30(21)19-8-6-17(7-9-19)26-23(33)16-12-22(32)28(13-16)18-4-2-1-3-5-18/h1-5,10-11,14-17,19H,6-9,12-13H2,(H,26,33)
InChIKeyFPWWRRFAXHPSJB-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.48
Rot. Bonds5

About 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide

5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 126937172) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID126937172
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(n2nc(-n3cncn3)ccc2=O)CC1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H25N7O3/c31-21-11-10-20(29-15-24-14-25-29)27-30(21)19-8-6-17(7-9-19)26-23(33)16-12-22(32)28(13-16)18-4-2-1-3-5-18/h1-5,10-11,14-17,19H,6-9,12-13H2,(H,26,33)
InChIKeyFPWWRRFAXHPSJB-UHFFFAOYSA-N
XLogP1.48
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide
CID 126937224
(3R)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 801402
(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 801400
(3S)-N-[(2S)-1-(cyclopropylamino)-3-methyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39312213
2-[4-(1,3-benzoxazol-2-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937235
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937265
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805
(3S)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39350752
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide (CID 126937172) is 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide is O=C(NC1CCC(n2nc(-n3cncn3)ccc2=O)CC1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is FPWWRRFAXHPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c31-21-11-10-20(29-15-24-14-25-29)27-30(21)19-8-6-17(7-9-19)26-23(33)16-12-22(32)28(13-16)18-4-2-1-3-5-18/h1-5,10-11,14-17,19H,6-9,12-13H2,(H,26,33).
What are the key properties of 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide?
5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126937172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).