7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

C18H17N5O2S — CID 78427651

IUPAC7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCOCCn1cc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)cn1
InChIInChI=1S/C18H17N5O2S/c1-22-18(24)15-14(12-3-5-19-6-4-12)11-26-17(15)16(21-22)13-9-20-23(10-13)7-8-25-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyUVUKTFLFLSBSII-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.57
Rot. Bonds5

About 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 78427651) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID78427651
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCOCCn1cc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)cn1
InChIInChI=1S/C18H17N5O2S/c1-22-18(24)15-14(12-3-5-19-6-4-12)11-26-17(15)16(21-22)13-9-20-23(10-13)7-8-25-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyUVUKTFLFLSBSII-UHFFFAOYSA-N
XLogP2.57
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 78427651) is 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is COCCn1cc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)cn1.
What is the InChIKey of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is UVUKTFLFLSBSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-22-18(24)15-14(12-3-5-19-6-4-12)11-26-17(15)16(21-22)13-9-20-23(10-13)7-8-25-2/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 367.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 78427651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).