N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine

C22H19N5OS — CID 121419111

IUPACN-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cncc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12
InChIInChI=1S/C22H19N5OS/c1-13-4-5-16(8-14(13)2)25-20-6-7-21-24-11-17(27(21)26-20)19-9-15-10-23-12-18(28-3)22(15)29-19/h4-12H,1-3H3,(H,25,26)
InChIKeyIOGTXALOVXCORT-UHFFFAOYSA-N
MW401.50 g/mol
LogP5.38
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 121419111) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID121419111
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC NameN-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cncc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12
InChIInChI=1S/C22H19N5OS/c1-13-4-5-16(8-14(13)2)25-20-6-7-21-24-11-17(27(21)26-20)19-9-15-10-23-12-18(28-3)22(15)29-19/h4-12H,1-3H3,(H,25,26)
InChIKeyIOGTXALOVXCORT-UHFFFAOYSA-N
XLogP5.38
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 121419111) is N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine is COc1cncc2cc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)sc12.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IOGTXALOVXCORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-13-4-5-16(8-14(13)2)25-20-6-7-21-24-11-17(27(21)26-20)19-9-15-10-23-12-18(28-3)22(15)29-19/h4-12H,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 401.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 121419111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).