5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol

C20H16N6O2S — CID 10126788

IUPAC5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol
SMILESCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1O
InChIInChI=1S/C20H16N6O2S/c1-28-17-5-3-13(9-16(17)27)23-20-24-15-6-7-29-18(15)19(25-20)22-12-2-4-14-11(8-12)10-21-26-14/h2-10,27H,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyGCILBUUASGQXAX-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.77
Rot. Bonds5

About 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol

5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol (PubChem CID 10126788) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol
PubChem CID10126788
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC Name5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol
SMILESCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1O
InChIInChI=1S/C20H16N6O2S/c1-28-17-5-3-13(9-16(17)27)23-20-24-15-6-7-29-18(15)19(25-20)22-12-2-4-14-11(8-12)10-21-26-14/h2-10,27H,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyGCILBUUASGQXAX-UHFFFAOYSA-N
XLogP4.77
TPSA107.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol?
The IUPAC name of 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol (CID 10126788) is 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol.
What is the SMILES notation for 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol?
The canonical SMILES for 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol is COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1O.
What is the InChIKey of 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol?
The InChIKey is GCILBUUASGQXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c1-28-17-5-3-13(9-16(17)27)23-20-24-15-6-7-29-18(15)19(25-20)22-12-2-4-14-11(8-12)10-21-26-14/h2-10,27H,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol?
5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol has a molecular weight of 404.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol is sourced from PubChem (CID 10126788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).