N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide

C23H24FN9O2 — CID 24664081

IUPACN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C23H24FN9O2/c1-14-13-19(15(2)32(14)18-5-3-17(24)4-6-18)23(35)27-26-22(34)16-9-11-31(12-10-16)21-8-7-20-25-29-30-33(20)28-21/h3-8,13,16H,9-12H2,1-2H3,(H,26,34)(H,27,35)
InChIKeyCLRPRNMCPLNAPR-UHFFFAOYSA-N
MW477.50 g/mol
LogP1.74
Rot. Bonds4

About N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide

N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide (PubChem CID 24664081) has the molecular formula C23H24FN9O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide
PubChem CID24664081
Molecular FormulaC23H24FN9O2
Molecular Weight477.50 g/mol
Exact Mass477.20
IUPAC NameN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C23H24FN9O2/c1-14-13-19(15(2)32(14)18-5-3-17(24)4-6-18)23(35)27-26-22(34)16-9-11-31(12-10-16)21-8-7-20-25-29-30-33(20)28-21/h3-8,13,16H,9-12H2,1-2H3,(H,26,34)(H,27,35)
InChIKeyCLRPRNMCPLNAPR-UHFFFAOYSA-N
XLogP1.74
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
CID 25333417
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 154839872
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 24665519
(2S)-4-methyl-2-[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119361368
N-[2-(difluoromethylsulfanyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748614
N-[(4-tert-butylphenyl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166198550
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748249
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719
N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 167759639
1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 24666682
4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 119253367
N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-7-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 24514017

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide (CID 24664081) is N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide?
The InChIKey is CLRPRNMCPLNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN9O2/c1-14-13-19(15(2)32(14)18-5-3-17(24)4-6-18)23(35)27-26-22(34)16-9-11-31(12-10-16)21-8-7-20-25-29-30-33(20)28-21/h3-8,13,16H,9-12H2,1-2H3,(H,26,34)(H,27,35).
What are the key properties of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide?
N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide has a molecular weight of 477.50 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 24664081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).