4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C23H22N6O3S — CID 137429685

IUPAC4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccc(=O)[nH]c1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C23H22N6O3S/c30-18-5-4-15(13-26-18)6-8-25-22(31)16-14-33-23-19(16)21(29-9-11-32-12-10-29)27-20(28-23)17-3-1-2-7-24-17/h1-5,7,13-14H,6,8-12H2,(H,25,31)(H,26,30)
InChIKeyQQKFESDTVBBTRK-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.25
Rot. Bonds6

About 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429685) has the molecular formula C23H22N6O3S and a molecular weight of 462.54 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429685
Molecular FormulaC23H22N6O3S
Molecular Weight462.54 g/mol
Exact Mass462.15
IUPAC Name4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccc(=O)[nH]c1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C23H22N6O3S/c30-18-5-4-15(13-26-18)6-8-25-22(31)16-14-33-23-19(16)21(29-9-11-32-12-10-29)27-20(28-23)17-3-1-2-7-24-17/h1-5,7,13-14H,6,8-12H2,(H,25,31)(H,26,30)
InChIKeyQQKFESDTVBBTRK-UHFFFAOYSA-N
XLogP2.25
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429685) is 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is O=C(NCCc1ccc(=O)[nH]c1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QQKFESDTVBBTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3S/c30-18-5-4-15(13-26-18)6-8-25-22(31)16-14-33-23-19(16)21(29-9-11-32-12-10-29)27-20(28-23)17-3-1-2-7-24-17/h1-5,7,13-14H,6,8-12H2,(H,25,31)(H,26,30).
What are the key properties of 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 462.54 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-(6-oxo-1H-pyridin-3-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).