7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

C19H19F2N3O2S — CID 78427132

IUPAC7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(OCC2CCC(F)(F)CC2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C19H19F2N3O2S/c1-24-18(25)15-14(13-4-8-22-9-5-13)11-27-16(15)17(23-24)26-10-12-2-6-19(20,21)7-3-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyJGPPLVSFZXMFRY-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.26
Rot. Bonds4

About 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 78427132) has the molecular formula C19H19F2N3O2S and a molecular weight of 391.44 g/mol. Its IUPAC name is 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID78427132
Molecular FormulaC19H19F2N3O2S
Molecular Weight391.44 g/mol
Exact Mass391.12
IUPAC Name7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(OCC2CCC(F)(F)CC2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C19H19F2N3O2S/c1-24-18(25)15-14(13-4-8-22-9-5-13)11-27-16(15)17(23-24)26-10-12-2-6-19(20,21)7-3-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyJGPPLVSFZXMFRY-UHFFFAOYSA-N
XLogP4.26
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 78427132) is 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is Cn1nc(OCC2CCC(F)(F)CC2)c2scc(-c3ccncc3)c2c1=O.
What is the InChIKey of 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is JGPPLVSFZXMFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S/c1-24-18(25)15-14(13-4-8-22-9-5-13)11-27-16(15)17(23-24)26-10-12-2-6-19(20,21)7-3-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3.
What are the key properties of 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 391.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,4-difluorocyclohexyl)methoxy]-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 78427132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).