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

C18H22N6OS — CID 126492525

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc2sc(C(=O)N3CCN(c4cccn4C)CC3)c(N)c2c1C
InChIInChI=1S/C18H22N6OS/c1-11-12(2)20-21-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-4-6-22(13)3/h4-6H,7-10,19H2,1-3H3
InChIKeyBCWRTJKYAXJIOQ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.19
Rot. Bonds2

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

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone (PubChem CID 126492525) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone
PubChem CID126492525
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc2sc(C(=O)N3CCN(c4cccn4C)CC3)c(N)c2c1C
InChIInChI=1S/C18H22N6OS/c1-11-12(2)20-21-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-4-6-22(13)3/h4-6H,7-10,19H2,1-3H3
InChIKeyBCWRTJKYAXJIOQ-UHFFFAOYSA-N
XLogP2.19
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.19
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-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone (CID 126492525) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone is Cc1nnc2sc(C(=O)N3CCN(c4cccn4C)CC3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone?
The InChIKey is BCWRTJKYAXJIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-11-12(2)20-21-17-14(11)15(19)16(26-17)18(25)24-9-7-23(8-10-24)13-5-4-6-22(13)3/h4-6H,7-10,19H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[4-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 2.19, 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-(1-methylpyrrol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126492525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).