N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine

C18H14FN5 — CID 44530400

IUPACN-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(CNc2ccc3ncc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C18H14FN5/c19-15-5-3-13(4-6-15)10-21-17-7-8-18-22-12-16(24(18)23-17)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,21,23)
InChIKeyNULRDBGIKPWVBH-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine

N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 44530400) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID44530400
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(CNc2ccc3ncc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C18H14FN5/c19-15-5-3-13(4-6-15)10-21-17-7-8-18-22-12-16(24(18)23-17)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,21,23)
InChIKeyNULRDBGIKPWVBH-UHFFFAOYSA-N
XLogP3.54
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine (CID 44530400) is N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine is Fc1ccc(CNc2ccc3ncc(-c4cccnc4)n3n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is NULRDBGIKPWVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-15-5-3-13(4-6-15)10-21-17-7-8-18-22-12-16(24(18)23-17)14-2-1-9-20-11-14/h1-9,11-12H,10H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 319.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 44530400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).