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

C25H30N6O2S — CID 90784490

IUPAC2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(C(c2cc3ncncc3s2)N2CCOC(c3cccc4[nH]ncc34)C2)CC1
InChIInChI=1S/C25H30N6O2S/c32-10-6-17-4-7-30(8-5-17)25(23-12-21-24(34-23)14-26-16-27-21)31-9-11-33-22(15-31)18-2-1-3-20-19(18)13-28-29-20/h1-3,12-14,16-17,22,25,32H,4-11,15H2,(H,28,29)
InChIKeyJEVIITNEDCQGDQ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.73
Rot. Bonds6

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

2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol (PubChem CID 90784490) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol
PubChem CID90784490
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC Name2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(C(c2cc3ncncc3s2)N2CCOC(c3cccc4[nH]ncc34)C2)CC1
InChIInChI=1S/C25H30N6O2S/c32-10-6-17-4-7-30(8-5-17)25(23-12-21-24(34-23)14-26-16-27-21)31-9-11-33-22(15-31)18-2-1-3-20-19(18)13-28-29-20/h1-3,12-14,16-17,22,25,32H,4-11,15H2,(H,28,29)
InChIKeyJEVIITNEDCQGDQ-UHFFFAOYSA-N
XLogP3.73
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol (CID 90784490) is 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol is OCCC1CCN(C(c2cc3ncncc3s2)N2CCOC(c3cccc4[nH]ncc34)C2)CC1.
What is the InChIKey of 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol?
The InChIKey is JEVIITNEDCQGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2S/c32-10-6-17-4-7-30(8-5-17)25(23-12-21-24(34-23)14-26-16-27-21)31-9-11-33-22(15-31)18-2-1-3-20-19(18)13-28-29-20/h1-3,12-14,16-17,22,25,32H,4-11,15H2,(H,28,29).
What are the key properties of 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol?
2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol has a molecular weight of 478.62 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1H-indazol-4-yl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 90784490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).