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

C24H22N6O2S — CID 59592909

IUPAC4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cncc(COCc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C24H22N6O2S/c1-4-18(19-13-26-29-20(19)5-1)23-27-21-11-17(15-32-14-16-3-2-6-25-12-16)33-22(21)24(28-23)30-7-9-31-10-8-30/h1-6,11-13H,7-10,14-15H2,(H,26,29)
InChIKeySNVYLDINYINJBQ-UHFFFAOYSA-N
MW458.55 g/mol
LogP4.18
Rot. Bonds6

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

4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59592909) 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-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID59592909
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC Name4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cncc(COCc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C24H22N6O2S/c1-4-18(19-13-26-29-20(19)5-1)23-27-21-11-17(15-32-14-16-3-2-6-25-12-16)33-22(21)24(28-23)30-7-9-31-10-8-30/h1-6,11-13H,7-10,14-15H2,(H,26,29)
InChIKeySNVYLDINYINJBQ-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-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59592909) is 4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is c1cncc(COCc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)c1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is SNVYLDINYINJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-4-18(19-13-26-29-20(19)5-1)23-27-21-11-17(15-32-14-16-3-2-6-25-12-16)33-22(21)24(28-23)30-7-9-31-10-8-30/h1-6,11-13H,7-10,14-15H2,(H,26,29).
What are the key properties of 4-[2-(1H-indazol-4-yl)-6-(pyridin-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-6-(pyridin-3-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-3-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59592909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).