7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene

C23H24N4O2S — CID 142506398

IUPAC7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene
SMILESC=CC.CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1
InChIInChI=1S/C20H18N4O2S.C3H6/c1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15;1-3-2/h3-9,11-12H,10H2,1-2H3,(H,23,24,25);3H,1H2,2H3
InChIKeyLEHAIAVWDLDHGX-UHFFFAOYSA-N
MW420.54 g/mol
LogP5.34
Rot. Bonds5

About 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene

7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene (PubChem CID 142506398) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene.

Molecular Properties

Compound Name7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene
PubChem CID142506398
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene
SMILESC=CC.CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1
InChIInChI=1S/C20H18N4O2S.C3H6/c1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15;1-3-2/h3-9,11-12H,10H2,1-2H3,(H,23,24,25);3H,1H2,2H3
InChIKeyLEHAIAVWDLDHGX-UHFFFAOYSA-N
XLogP5.34
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729747
5-(furan-2-yl)-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 16331279
N-[2-[[6-(2-methoxy-3-pyridinyl)-3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
CID 46942443
6-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-3-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 49790243
US11472776, Example 14
CID 135154981
7-(4-Methoxyphenyl)-3-[(pyridin-2-YL)methyl]-3H,4H-thieno[3,2-D]pyrimidin-4-one
CID 53035247
7-(4-Methoxyphenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 53035248
5-[2-(2,2,2-Trifluoroethoxy)-4-pyridinyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 71890843
7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429357
7-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429604
7-[4-(difluoromethoxy)-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429641
7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429667

Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene?
The IUPAC name of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene (CID 142506398) is 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene.
What is the SMILES notation for 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene?
The canonical SMILES for 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene is C=CC.CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1.
What is the InChIKey of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene?
The InChIKey is LEHAIAVWDLDHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S.C3H6/c1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15;1-3-2/h3-9,11-12H,10H2,1-2H3,(H,23,24,25);3H,1H2,2H3.
What are the key properties of 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene?
7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene has a molecular weight of 420.54 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;prop-1-ene is sourced from PubChem (CID 142506398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).