7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C40H30FN7O3S2 — CID 142506776

IUPAC7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(COc1nc(-c2ccccn2)nc2c(-c3ccc4c(c3)CCCO4)csc12)Cc1ccc(F)c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C40H30FN7O3S2/c1-48(19-23-10-12-29(41)26(17-23)28-21-52-35-34(28)45-37(46-39(35)49)30-8-2-4-14-42-30)22-51-40-36-33(44-38(47-40)31-9-3-5-15-43-31)27(20-53-36)24-11-13-32-25(18-24)7-6-16-50-32/h2-5,8-15,17-18,20-21H,6-7,16,19,22H2,1H3,(H,45,46,49)
InChIKeyGFTFLMJWXQNHNB-UHFFFAOYSA-N
MW739.86 g/mol
LogP8.38
Rot. Bonds9

About 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 142506776) has the molecular formula C40H30FN7O3S2 and a molecular weight of 739.86 g/mol. Its IUPAC name is 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID142506776
Molecular FormulaC40H30FN7O3S2
Molecular Weight739.86 g/mol
Exact Mass739.18
IUPAC Name7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(COc1nc(-c2ccccn2)nc2c(-c3ccc4c(c3)CCCO4)csc12)Cc1ccc(F)c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C40H30FN7O3S2/c1-48(19-23-10-12-29(41)26(17-23)28-21-52-35-34(28)45-37(46-39(35)49)30-8-2-4-14-42-30)22-51-40-36-33(44-38(47-40)31-9-3-5-15-43-31)27(20-53-36)24-11-13-32-25(18-24)7-6-16-50-32/h2-5,8-15,17-18,20-21H,6-7,16,19,22H2,1H3,(H,45,46,49)
InChIKeyGFTFLMJWXQNHNB-UHFFFAOYSA-N
XLogP8.38
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500739.86
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(4-Fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one
CID 71510706
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596442
N-[4-[6-ethoxy-4-piperazin-1-yl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]phenyl]pyridine-3-carboxamide
CID 11606685
[4-[7-(2-Fluoro-4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 57413812
3-[3-[3-Fluoro-4-[2-[1-methyl-5-(propylaminomethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzamide
CID 58207721
3-[3-[3-Fluoro-4-[2-[5-(4-methoxybutyl)-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzamide
CID 58207731
2-[3-fluoro-4-[2-(2-morpholin-4-ylpyrimidin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-(2-methoxyphenyl)propanediamide
CID 66648999
2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-pyridin-4-ylpropanediamide
CID 66649017
2-[3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-pyridin-3-ylpropanediamide
CID 66649090
2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-pyridin-3-ylpropanediamide
CID 66649245
2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-phenylpropanediamide
CID 66649311
2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-(2-fluorophenyl)propanediamide
CID 66833789

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 142506776) is 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CN(COc1nc(-c2ccccn2)nc2c(-c3ccc4c(c3)CCCO4)csc12)Cc1ccc(F)c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.
What is the InChIKey of 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GFTFLMJWXQNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30FN7O3S2/c1-48(19-23-10-12-29(41)26(17-23)28-21-52-35-34(28)45-37(46-39(35)49)30-8-2-4-14-42-30)22-51-40-36-33(44-38(47-40)31-9-3-5-15-43-31)27(20-53-36)24-11-13-32-25(18-24)7-6-16-50-32/h2-5,8-15,17-18,20-21H,6-7,16,19,22H2,1H3,(H,45,46,49).
What are the key properties of 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 739.86 g/mol, XLogP of 8.38, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[[7-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl]oxymethyl-methylamino]methyl]-2-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142506776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).