4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C24H22N6O2S — CID 59592823

IUPAC4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(COCc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)nc1
InChIInChI=1S/C24H22N6O2S/c1-2-7-25-16(4-1)14-32-15-17-12-21-22(33-17)24(30-8-10-31-11-9-30)28-23(27-21)18-5-3-6-20-19(18)13-26-29-20/h1-7,12-13H,8-11,14-15H2,(H,26,29)
InChIKeySDAQMUGYAHYOTK-UHFFFAOYSA-N
MW458.55 g/mol
LogP4.18
Rot. Bonds6

About 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59592823) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID59592823
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC Name4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(COCc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)nc1
InChIInChI=1S/C24H22N6O2S/c1-2-7-25-16(4-1)14-32-15-17-12-21-22(33-17)24(30-8-10-31-11-9-30)28-23(27-21)18-5-3-6-20-19(18)13-26-29-20/h1-7,12-13H,8-11,14-15H2,(H,26,29)
InChIKeySDAQMUGYAHYOTK-UHFFFAOYSA-N
XLogP4.18
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59592823) is 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is c1ccc(COCc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)nc1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is SDAQMUGYAHYOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-2-7-25-16(4-1)14-32-15-17-12-21-22(33-17)24(30-8-10-31-11-9-30)28-23(27-21)18-5-3-6-20-19(18)13-26-29-20/h1-7,12-13H,8-11,14-15H2,(H,26,29).
What are the key properties of 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 458.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-4-yl)-6-(pyridin-2-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59592823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).