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

C34H30N12 — CID 157462785

IUPAC3-(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
SMILESCn1cc(-c2cnc3ccc(NCc4cccnc4)nn23)cn1.c1ccc(-c2cnc3ccc(NCc4cccnc4)nn23)cc1
InChIInChI=1S/C18H15N5.C16H15N7/c1-2-6-15(7-3-1)16-13-21-18-9-8-17(22-23(16)18)20-12-14-5-4-10-19-11-14;1-22-11-13(9-20-22)14-10-19-16-5-4-15(21-23(14)16)18-8-12-3-2-6-17-7-12/h1-11,13H,12H2,(H,20,22);2-7,9-11H,8H2,1H3,(H,18,21)
InChIKeyBUCYNLUNAWUYRD-UHFFFAOYSA-N
MW606.70 g/mol
LogP5.54
Rot. Bonds8

About 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

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 (PubChem CID 157462785) has the molecular formula C34H30N12 and a molecular weight of 606.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157462785
Molecular FormulaC34H30N12
Molecular Weight606.70 g/mol
Exact Mass606.27
IUPAC Name3-(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
SMILESCn1cc(-c2cnc3ccc(NCc4cccnc4)nn23)cn1.c1ccc(-c2cnc3ccc(NCc4cccnc4)nn23)cc1
InChIInChI=1S/C18H15N5.C16H15N7/c1-2-6-15(7-3-1)16-13-21-18-9-8-17(22-23(16)18)20-12-14-5-4-10-19-11-14;1-22-11-13(9-20-22)14-10-19-16-5-4-15(21-23(14)16)18-8-12-3-2-6-17-7-12/h1-11,13H,12H2,(H,20,22);2-7,9-11H,8H2,1H3,(H,18,21)
InChIKeyBUCYNLUNAWUYRD-UHFFFAOYSA-N
XLogP5.54
TPSA128.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.70
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474614
4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 58857834
3-[4-(1-methylpyrazol-4-yl)phenyl]-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 135260458
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine
CID 123679403
N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453666
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 58857796
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
CID 25103807

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(-c2cnc3ccc(NCc4cccnc4)nn23)cn1.c1ccc(-c2cnc3ccc(NCc4cccnc4)nn23)cc1.
What is the InChIKey of 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?
The InChIKey is BUCYNLUNAWUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5.C16H15N7/c1-2-6-15(7-3-1)16-13-21-18-9-8-17(22-23(16)18)20-12-14-5-4-10-19-11-14;1-22-11-13(9-20-22)14-10-19-16-5-4-15(21-23(14)16)18-8-12-3-2-6-17-7-12/h1-11,13H,12H2,(H,20,22);2-7,9-11H,8H2,1H3,(H,18,21).
What are the key properties of 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?
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 has a molecular weight of 606.70 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157462785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).