N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide

C16H13Cl2FN6O2 — CID 141427487

IUPACN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
SMILESNc1nnc(N(C=O)c2cn[nH]c2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H13Cl2FN6O2/c17-11-1-2-12(19)15(18)10(11)3-4-27-13-5-14(23-24-16(13)20)25(8-26)9-6-21-22-7-9/h1-2,5-8H,3-4H2,(H2,20,24)(H,21,22)
InChIKeyMXQRFESQWWOPBU-UHFFFAOYSA-N
MW411.22 g/mol
LogP3.14
Rot. Bonds7

About N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide

N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide (PubChem CID 141427487) has the molecular formula C16H13Cl2FN6O2 and a molecular weight of 411.22 g/mol. Its IUPAC name is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide.

Molecular Properties

Compound NameN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
PubChem CID141427487
Molecular FormulaC16H13Cl2FN6O2
Molecular Weight411.22 g/mol
Exact Mass410.05
IUPAC NameN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
SMILESNc1nnc(N(C=O)c2cn[nH]c2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H13Cl2FN6O2/c17-11-1-2-12(19)15(18)10(11)3-4-27-13-5-14(23-24-16(13)20)25(8-26)9-6-21-22-7-9/h1-2,5-8H,3-4H2,(H2,20,24)(H,21,22)
InChIKeyMXQRFESQWWOPBU-UHFFFAOYSA-N
XLogP3.14
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.22
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
The IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide (CID 141427487) is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide.
What is the SMILES notation for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
The canonical SMILES for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide is Nc1nnc(N(C=O)c2cn[nH]c2)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
The InChIKey is MXQRFESQWWOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN6O2/c17-11-1-2-12(19)15(18)10(11)3-4-27-13-5-14(23-24-16(13)20)25(8-26)9-6-21-22-7-9/h1-2,5-8H,3-4H2,(H2,20,24)(H,21,22).
What are the key properties of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide has a molecular weight of 411.22 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide is sourced from PubChem (CID 141427487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).