7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene

C24H22FN3O2S — CID 142506717

IUPAC7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F
InChIInChI=1S/C19H14FN3O2S.C5H8/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15;1-3-5-4-2/h2-8,10H,9H2,1H3,(H,22,23,24);3-5H,1H2,2H3/b;5-4-
InChIKeyCNOWSDPLFGRSJA-GUHKXDMSSA-N
MW435.52 g/mol
LogP5.75
Rot. Bonds5

About 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene

7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene (PubChem CID 142506717) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene
PubChem CID142506717
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F
InChIInChI=1S/C19H14FN3O2S.C5H8/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15;1-3-5-4-2/h2-8,10H,9H2,1H3,(H,22,23,24);3-5H,1H2,2H3/b;5-4-
InChIKeyCNOWSDPLFGRSJA-GUHKXDMSSA-N
XLogP5.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene?
The IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene (CID 142506717) is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene.
What is the SMILES notation for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene?
The canonical SMILES for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene is C=C/C=C\C.COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1F.
What is the InChIKey of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene?
The InChIKey is CNOWSDPLFGRSJA-GUHKXDMSSA-N. The full InChI is InChI=1S/C19H14FN3O2S.C5H8/c1-25-9-12-6-5-11(8-14(12)20)13-10-26-17-16(13)22-18(23-19(17)24)15-4-2-3-7-21-15;1-3-5-4-2/h2-8,10H,9H2,1H3,(H,22,23,24);3-5H,1H2,2H3/b;5-4-.
What are the key properties of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene?
7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene has a molecular weight of 435.52 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(3Z)-penta-1,3-diene is sourced from PubChem (CID 142506717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).