N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine

C25H23N5O2 — CID 90388347

IUPACN-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESC=CCn1c(-c2cnc3ccc(Nc4ccc(OC)c(OC)c4)nn23)cc2ccccc21
InChIInChI=1S/C25H23N5O2/c1-4-13-29-19-8-6-5-7-17(19)14-20(29)21-16-26-25-12-11-24(28-30(21)25)27-18-9-10-22(31-2)23(15-18)32-3/h4-12,14-16H,1,13H2,2-3H3,(H,27,28)
InChIKeyJVNPPNWUZSUISG-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.30
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 90388347) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID90388347
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESC=CCn1c(-c2cnc3ccc(Nc4ccc(OC)c(OC)c4)nn23)cc2ccccc21
InChIInChI=1S/C25H23N5O2/c1-4-13-29-19-8-6-5-7-17(19)14-20(29)21-16-26-25-12-11-24(28-30(21)25)27-18-9-10-22(31-2)23(15-18)32-3/h4-12,14-16H,1,13H2,2-3H3,(H,27,28)
InChIKeyJVNPPNWUZSUISG-UHFFFAOYSA-N
XLogP5.30
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 90388347) is N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine is C=CCn1c(-c2cnc3ccc(Nc4ccc(OC)c(OC)c4)nn23)cc2ccccc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is JVNPPNWUZSUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-4-13-29-19-8-6-5-7-17(19)14-20(29)21-16-26-25-12-11-24(28-30(21)25)27-18-9-10-22(31-2)23(15-18)32-3/h4-12,14-16H,1,13H2,2-3H3,(H,27,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 425.49 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(1-prop-2-enylindol-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90388347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).