(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H20N6OS — CID 122691570

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nnc2sc(C(=O)N3CCN(c4ccccn4)CC3)c(N)c2c1C
InChIInChI=1S/C18H20N6OS/c1-11-12(2)21-22-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-3-4-6-20-13/h3-6H,7-10,19H2,1-2H3
InChIKeyMHNPODJSVSJDTN-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.25
Rot. Bonds2

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 122691570) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID122691570
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nnc2sc(C(=O)N3CCN(c4ccccn4)CC3)c(N)c2c1C
InChIInChI=1S/C18H20N6OS/c1-11-12(2)21-22-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-3-4-6-20-13/h3-6H,7-10,19H2,1-2H3
InChIKeyMHNPODJSVSJDTN-UHFFFAOYSA-N
XLogP2.25
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.25
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-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 122691570) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nnc2sc(C(=O)N3CCN(c4ccccn4)CC3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MHNPODJSVSJDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11-12(2)21-22-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-3-4-6-20-13/h3-6H,7-10,19H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 368.47 g/mol, XLogP of 2.25, 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-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 122691570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).