7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

C22H17N5O2S — CID 137429335

IUPAC7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C22H17N5O2S/c1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20/h3-12H,1-2H3,(H,25,26,28)
InChIKeyJRFSWZOGOMWGLC-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.12
Rot. Bonds4

About 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429335) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429335
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1
InChIInChI=1S/C22H17N5O2S/c1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20/h3-12H,1-2H3,(H,25,26,28)
InChIKeyJRFSWZOGOMWGLC-UHFFFAOYSA-N
XLogP4.12
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429335) is 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JRFSWZOGOMWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20/h3-12H,1-2H3,(H,25,26,28).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 415.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).