N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

C22H23N5O3 — CID 58857590

IUPACN-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc(OC)c1OC
InChIInChI=1S/C22H23N5O3/c1-28-18-11-16(12-19(29-2)22(18)30-3)17-14-25-21-7-6-20(26-27(17)21)24-10-8-15-5-4-9-23-13-15/h4-7,9,11-14H,8,10H2,1-3H3,(H,24,26)
InChIKeyKTRCRDCQKSSCTM-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.47
Rot. Bonds8

About N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857590) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857590
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc(OC)c1OC
InChIInChI=1S/C22H23N5O3/c1-28-18-11-16(12-19(29-2)22(18)30-3)17-14-25-21-7-6-20(26-27(17)21)24-10-8-15-5-4-9-23-13-15/h4-7,9,11-14H,8,10H2,1-3H3,(H,24,26)
InChIKeyKTRCRDCQKSSCTM-UHFFFAOYSA-N
XLogP3.47
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857590) is N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is COc1cc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc(OC)c1OC.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KTRCRDCQKSSCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-28-18-11-16(12-19(29-2)22(18)30-3)17-14-25-21-7-6-20(26-27(17)21)24-10-8-15-5-4-9-23-13-15/h4-7,9,11-14H,8,10H2,1-3H3,(H,24,26).
What are the key properties of N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 405.46 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).