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

C18H20N4O2 — CID 58857919

IUPACN-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1OC
InChIInChI=1S/C18H20N4O2/c1-23-15-6-5-13(9-16(15)24-2)14-11-20-18-8-7-17(21-22(14)18)19-10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyCXPKTACXVPDWDN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.24
Rot. Bonds6

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

N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857919) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857919
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1OC
InChIInChI=1S/C18H20N4O2/c1-23-15-6-5-13(9-16(15)24-2)14-11-20-18-8-7-17(21-22(14)18)19-10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyCXPKTACXVPDWDN-UHFFFAOYSA-N
XLogP3.24
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857919) is N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CXPKTACXVPDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-23-15-6-5-13(9-16(15)24-2)14-11-20-18-8-7-17(21-22(14)18)19-10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 324.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).