(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone

C19H22N6OS — CID 122691569

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2)nc1
InChIInChI=1S/C19H22N6OS/c1-11-4-5-14(21-10-11)24-6-8-25(9-7-24)19(26)17-16(20)15-12(2)13(3)22-23-18(15)27-17/h4-5,10H,6-9,20H2,1-3H3
InChIKeyYCFIIFIJPQULDF-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.56
Rot. Bonds2

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 122691569) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID122691569
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2)nc1
InChIInChI=1S/C19H22N6OS/c1-11-4-5-14(21-10-11)24-6-8-25(9-7-24)19(26)17-16(20)15-12(2)13(3)22-23-18(15)27-17/h4-5,10H,6-9,20H2,1-3H3
InChIKeyYCFIIFIJPQULDF-UHFFFAOYSA-N
XLogP2.56
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 122691569) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3sc4nnc(C)c(C)c4c3N)CC2)nc1.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is YCFIIFIJPQULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-11-4-5-14(21-10-11)24-6-8-25(9-7-24)19(26)17-16(20)15-12(2)13(3)22-23-18(15)27-17/h4-5,10H,6-9,20H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 122691569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).