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

C18H17N5O2S — CID 24970086

IUPAC[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol
SMILESOCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H17N5O2S/c24-10-11-8-15-16(26-11)18(23-4-6-25-7-5-23)21-17(20-15)12-2-1-3-14-13(12)9-19-22-14/h1-3,8-9,24H,4-7,10H2,(H,19,22)
InChIKeyQLUFYDHSNDOTQX-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.56
Rot. Bonds3

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

[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol (PubChem CID 24970086) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol
PubChem CID24970086
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol
SMILESOCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H17N5O2S/c24-10-11-8-15-16(26-11)18(23-4-6-25-7-5-23)21-17(20-15)12-2-1-3-14-13(12)9-19-22-14/h1-3,8-9,24H,4-7,10H2,(H,19,22)
InChIKeyQLUFYDHSNDOTQX-UHFFFAOYSA-N
XLogP2.56
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol?
The IUPAC name of [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol (CID 24970086) is [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol?
The canonical SMILES for [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol is OCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol?
The InChIKey is QLUFYDHSNDOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-10-11-8-15-16(26-11)18(23-4-6-25-7-5-23)21-17(20-15)12-2-1-3-14-13(12)9-19-22-14/h1-3,8-9,24H,4-7,10H2,(H,19,22).
What are the key properties of [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol?
[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol has a molecular weight of 367.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 24970086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).