4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

C23H22N6O2S — CID 137429466

IUPAC4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccncc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C23H22N6O2S/c30-22(26-10-6-16-4-8-24-9-5-16)17-15-32-23-19(17)21(29-11-13-31-14-12-29)27-20(28-23)18-3-1-2-7-25-18/h1-5,7-9,15H,6,10-14H2,(H,26,30)
InChIKeyOMXOKOLJQOFZTD-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.96
Rot. Bonds6

About 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429466) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429466
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC Name4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccncc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C23H22N6O2S/c30-22(26-10-6-16-4-8-24-9-5-16)17-15-32-23-19(17)21(29-11-13-31-14-12-29)27-20(28-23)18-3-1-2-7-25-18/h1-5,7-9,15H,6,10-14H2,(H,26,30)
InChIKeyOMXOKOLJQOFZTD-UHFFFAOYSA-N
XLogP2.96
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 137429466) is 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is O=C(NCCc1ccncc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is OMXOKOLJQOFZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c30-22(26-10-6-16-4-8-24-9-5-16)17-15-32-23-19(17)21(29-11-13-31-14-12-29)27-20(28-23)18-3-1-2-7-25-18/h1-5,7-9,15H,6,10-14H2,(H,26,30).
What are the key properties of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).