N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C18H17F2N7O — CID 90601322

IUPACN-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C18H17F2N7O/c19-13-1-2-15(14(20)9-13)23-18(28)12-5-7-26(8-6-12)16-3-4-17(25-24-16)27-11-21-10-22-27/h1-4,9-12H,5-8H2,(H,23,28)
InChIKeyDSYHFVSTWCCWEK-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.19
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90601322) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID90601322
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC NameN-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C18H17F2N7O/c19-13-1-2-15(14(20)9-13)23-18(28)12-5-7-26(8-6-12)16-3-4-17(25-24-16)27-11-21-10-22-27/h1-4,9-12H,5-8H2,(H,23,28)
InChIKeyDSYHFVSTWCCWEK-UHFFFAOYSA-N
XLogP2.19
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601204
N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601542
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-(2,4-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364392
N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601345
1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90601636
N-(cyclopropylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601619
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
N-(3-fluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600324
N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601280
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2-bromo-4-methylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810857

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90601322) is N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is DSYHFVSTWCCWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O/c19-13-1-2-15(14(20)9-13)23-18(28)12-5-7-26(8-6-12)16-3-4-17(25-24-16)27-11-21-10-22-27/h1-4,9-12H,5-8H2,(H,23,28).
What are the key properties of N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90601322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).