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

C18H13F2N5 — CID 59453643

IUPACN-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(CNc2ccc3ncc(-c4ccncc4)n3n2)cc1F
InChIInChI=1S/C18H13F2N5/c19-14-2-1-12(9-15(14)20)10-22-17-3-4-18-23-11-16(25(18)24-17)13-5-7-21-8-6-13/h1-9,11H,10H2,(H,22,24)
InChIKeyQZYLQJLZEBVBSF-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.68
Rot. Bonds4

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

N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 59453643) has the molecular formula C18H13F2N5 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID59453643
Molecular FormulaC18H13F2N5
Molecular Weight337.33 g/mol
Exact Mass337.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(CNc2ccc3ncc(-c4ccncc4)n3n2)cc1F
InChIInChI=1S/C18H13F2N5/c19-14-2-1-12(9-15(14)20)10-22-17-3-4-18-23-11-16(25(18)24-17)13-5-7-21-8-6-13/h1-9,11H,10H2,(H,22,24)
InChIKeyQZYLQJLZEBVBSF-UHFFFAOYSA-N
XLogP3.68
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453666
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475886
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857801
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
[4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 58857573
N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 126471750
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (CID 59453643) is N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is Fc1ccc(CNc2ccc3ncc(-c4ccncc4)n3n2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is QZYLQJLZEBVBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5/c19-14-2-1-12(9-15(14)20)10-22-17-3-4-18-23-11-16(25(18)24-17)13-5-7-21-8-6-13/h1-9,11H,10H2,(H,22,24).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 337.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 59453643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).