N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine

C21H17N5O2S — CID 90388586

IUPACN-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1OC
InChIInChI=1S/C21H17N5O2S/c1-27-16-4-3-14(10-17(16)28-2)24-20-5-6-21-23-12-15(26(21)25-20)19-9-13-11-22-8-7-18(13)29-19/h3-12H,1-2H3,(H,24,25)
InChIKeyMABTVVBVRQEZTF-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.77
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine

N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 90388586) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID90388586
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1OC
InChIInChI=1S/C21H17N5O2S/c1-27-16-4-3-14(10-17(16)28-2)24-20-5-6-21-23-12-15(26(21)25-20)19-9-13-11-22-8-7-18(13)29-19/h3-12H,1-2H3,(H,24,25)
InChIKeyMABTVVBVRQEZTF-UHFFFAOYSA-N
XLogP4.77
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 90388586) is N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine is COc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MABTVVBVRQEZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-27-16-4-3-14(10-17(16)28-2)24-20-5-6-21-23-12-15(26(21)25-20)19-9-13-11-22-8-7-18(13)29-19/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 403.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90388586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).