7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol

C24H20FN5O2S — CID 137043777

IUPAC7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol
SMILESOc1[nH]c2nccnc2c1-c1ccc(F)c(-c2ncnc3cc(CC4CCOCC4)sc23)c1
InChIInChI=1S/C24H20FN5O2S/c25-17-2-1-14(19-21-23(30-24(19)31)27-6-5-26-21)10-16(17)20-22-18(28-12-29-20)11-15(33-22)9-13-3-7-32-8-4-13/h1-2,5-6,10-13,31H,3-4,7-9H2,(H,27,30)
InChIKeyCFGAUOZNSWDNBF-UHFFFAOYSA-N
MW461.52 g/mol
LogP5.11
Rot. Bonds4

About 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol

7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol (PubChem CID 137043777) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol.

Molecular Properties

Compound Name7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol
PubChem CID137043777
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC Name7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol
SMILESOc1[nH]c2nccnc2c1-c1ccc(F)c(-c2ncnc3cc(CC4CCOCC4)sc23)c1
InChIInChI=1S/C24H20FN5O2S/c25-17-2-1-14(19-21-23(30-24(19)31)27-6-5-26-21)10-16(17)20-22-18(28-12-29-20)11-15(33-22)9-13-3-7-32-8-4-13/h1-2,5-6,10-13,31H,3-4,7-9H2,(H,27,30)
InChIKeyCFGAUOZNSWDNBF-UHFFFAOYSA-N
XLogP5.11
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol with MolForge

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Related Compounds

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-fluoro-1-benzothiophen-2-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 136598419
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylthiophen-2-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137085470
4-[2-[[2-(6-Morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117092580
5-fluoro-3-[(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)diazenyl]-1H-indol-2-ol
CID 136271369
2-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 24968945
2-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59592931
3-[(6-morpholin-4-yl-3-pyridinyl)iminomethyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-ol
CID 136144732
3-(quinolin-8-yliminomethyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-ol
CID 136430601
2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-5H-thieno[2,3-c]pyrrol-6-ol
CID 136490839
3-(1H-benzimidazol-2-yliminomethyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-ol
CID 136601276
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-benzothiophen-3-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137072203
2-[(2-aminocyclohexyl)amino]-4-(1-benzothiophen-3-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137094696

Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol?
The IUPAC name of 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol (CID 137043777) is 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol.
What is the SMILES notation for 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol?
The canonical SMILES for 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol is Oc1[nH]c2nccnc2c1-c1ccc(F)c(-c2ncnc3cc(CC4CCOCC4)sc23)c1.
What is the InChIKey of 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol?
The InChIKey is CFGAUOZNSWDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c25-17-2-1-14(19-21-23(30-24(19)31)27-6-5-26-21)10-16(17)20-22-18(28-12-29-20)11-15(33-22)9-13-3-7-32-8-4-13/h1-2,5-6,10-13,31H,3-4,7-9H2,(H,27,30).
What are the key properties of 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol?
7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol has a molecular weight of 461.52 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-3-[6-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-6-ol is sourced from PubChem (CID 137043777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).