3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

C20H22N6O3 — CID 126474614

IUPAC3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(CNc2ccc3ncc(-c4cnn(C)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H22N6O3/c1-25-12-14(10-23-25)15-11-22-19-6-5-18(24-26(15)19)21-9-13-7-16(27-2)20(29-4)17(8-13)28-3/h5-8,10-12H,9H2,1-4H3,(H,21,24)
InChIKeyPKLKSBPKIXMRPV-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.77
Rot. Bonds7

About 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126474614) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID126474614
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(CNc2ccc3ncc(-c4cnn(C)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H22N6O3/c1-25-12-14(10-23-25)15-11-22-19-6-5-18(24-26(15)19)21-9-13-7-16(27-2)20(29-4)17(8-13)28-3/h5-8,10-12H,9H2,1-4H3,(H,21,24)
InChIKeyPKLKSBPKIXMRPV-UHFFFAOYSA-N
XLogP2.77
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474359
3-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126473754
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180
4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 58857834
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157462785
N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857590
4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900201
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 140905268
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 126474614) is 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is COc1cc(CNc2ccc3ncc(-c4cnn(C)c4)n3n2)cc(OC)c1OC.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PKLKSBPKIXMRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-25-12-14(10-23-25)15-11-22-19-6-5-18(24-26(15)19)21-9-13-7-16(27-2)20(29-4)17(8-13)28-3/h5-8,10-12H,9H2,1-4H3,(H,21,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 394.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126474614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).