N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide

C16H11FN6O — CID 153434223

IUPACN-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide
SMILESO=CNc1cnc2ccc(-c3cn[nH]c3-c3ccc(F)cc3)nn12
InChIInChI=1S/C16H11FN6O/c17-11-3-1-10(2-4-11)16-12(7-20-21-16)13-5-6-14-18-8-15(19-9-24)23(14)22-13/h1-9H,(H,19,24)(H,20,21)
InChIKeyPECGAMVUKNAVTG-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.49
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide (PubChem CID 153434223) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide
PubChem CID153434223
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC NameN-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide
SMILESO=CNc1cnc2ccc(-c3cn[nH]c3-c3ccc(F)cc3)nn12
InChIInChI=1S/C16H11FN6O/c17-11-3-1-10(2-4-11)16-12(7-20-21-16)13-5-6-14-18-8-15(19-9-24)23(14)22-13/h1-9H,(H,19,24)(H,20,21)
InChIKeyPECGAMVUKNAVTG-UHFFFAOYSA-N
XLogP2.49
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide (CID 153434223) is N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide is O=CNc1cnc2ccc(-c3cn[nH]c3-c3ccc(F)cc3)nn12.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide?
The InChIKey is PECGAMVUKNAVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-11-3-1-10(2-4-11)16-12(7-20-21-16)13-5-6-14-18-8-15(19-9-24)23(14)22-13/h1-9H,(H,19,24)(H,20,21).
What are the key properties of N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide?
N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide has a molecular weight of 322.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]formamide is sourced from PubChem (CID 153434223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).