1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol

C19H19N5O2S — CID 46180664

IUPAC1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
SMILESCC(O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H19N5O2S/c1-11(25)16-9-15-17(27-16)19(24-5-7-26-8-6-24)22-18(21-15)12-3-2-4-14-13(12)10-20-23-14/h2-4,9-11,25H,5-8H2,1H3,(H,20,23)
InChIKeyVIOPFQOZMDFRIZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.12
Rot. Bonds3

About 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol

1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol (PubChem CID 46180664) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
PubChem CID46180664
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
SMILESCC(O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H19N5O2S/c1-11(25)16-9-15-17(27-16)19(24-5-7-26-8-6-24)22-18(21-15)12-3-2-4-14-13(12)10-20-23-14/h2-4,9-11,25H,5-8H2,1H3,(H,20,23)
InChIKeyVIOPFQOZMDFRIZ-UHFFFAOYSA-N
XLogP3.12
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?
The IUPAC name of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol (CID 46180664) is 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol is CC(O)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?
The InChIKey is VIOPFQOZMDFRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11(25)16-9-15-17(27-16)19(24-5-7-26-8-6-24)22-18(21-15)12-3-2-4-14-13(12)10-20-23-14/h2-4,9-11,25H,5-8H2,1H3,(H,20,23).
What are the key properties of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?
1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol has a molecular weight of 381.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 46180664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).