7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C22H19FN4O2S — CID 146521793

IUPAC7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(CN3CCOC(c4cccc(F)c4)C3)csc12
InChIInChI=1S/C22H19FN4O2S/c23-16-5-3-4-14(10-16)18-12-27(8-9-29-18)11-15-13-30-20-19(15)25-21(26-22(20)28)17-6-1-2-7-24-17/h1-7,10,13,18H,8-9,11-12H2,(H,25,26,28)
InChIKeyNNLBWIQVLFIOPE-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.76
Rot. Bonds4

About 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 146521793) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID146521793
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC Name7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(CN3CCOC(c4cccc(F)c4)C3)csc12
InChIInChI=1S/C22H19FN4O2S/c23-16-5-3-4-14(10-16)18-12-27(8-9-29-18)11-15-13-30-20-19(15)25-21(26-22(20)28)17-6-1-2-7-24-17/h1-7,10,13,18H,8-9,11-12H2,(H,25,26,28)
InChIKeyNNLBWIQVLFIOPE-UHFFFAOYSA-N
XLogP3.76
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 146521793) is 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c(CN3CCOC(c4cccc(F)c4)C3)csc12.
What is the InChIKey of 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NNLBWIQVLFIOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c23-16-5-3-4-14(10-16)18-12-27(8-9-29-18)11-15-13-30-20-19(15)25-21(26-22(20)28)17-6-1-2-7-24-17/h1-7,10,13,18H,8-9,11-12H2,(H,25,26,28).
What are the key properties of 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 422.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146521793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).