[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone

C19H13FN4O2S — CID 144744948

IUPAC[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc(F)c(-c2ncnc3cc(C)sc23)c1
InChIInChI=1S/C19H13FN4O2S/c1-10-7-14-18(27-10)15(24-9-23-14)12-8-11(3-4-13(12)20)17(25)16-19(26-2)22-6-5-21-16/h3-9H,1-2H3
InChIKeyZNBOIMKPVGITQK-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.84
Rot. Bonds4

About [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone

[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone (PubChem CID 144744948) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone
PubChem CID144744948
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc(F)c(-c2ncnc3cc(C)sc23)c1
InChIInChI=1S/C19H13FN4O2S/c1-10-7-14-18(27-10)15(24-9-23-14)12-8-11(3-4-13(12)20)17(25)16-19(26-2)22-6-5-21-16/h3-9H,1-2H3
InChIKeyZNBOIMKPVGITQK-UHFFFAOYSA-N
XLogP3.84
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone;1-propoxypropane
CID 144744947
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421493
(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone
CID 115797079
(3-methoxypyrazin-2-yl)-(5-methylfuran-3-yl)methanone
CID 115797106
(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797103
(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 104515035
(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797185
2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
CID 115797247
(5-chloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515020

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone (CID 144744948) is [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1ccc(F)c(-c2ncnc3cc(C)sc23)c1.
What is the InChIKey of [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is ZNBOIMKPVGITQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-10-7-14-18(27-10)15(24-9-23-14)12-8-11(3-4-13(12)20)17(25)16-19(26-2)22-6-5-21-16/h3-9H,1-2H3.
What are the key properties of [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone?
[4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 380.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(6-methylthieno[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 144744948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).