N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C20H25N5O5S2 — CID 122428427

IUPACN-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CCO)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C20H25N5O5S2/c1-12-14(4-7-26)17-18(31-12)16(22-20(23-17)25-5-8-30-9-6-25)13-10-15(24-32(3,27)28)19(29-2)21-11-13/h10-11,24,26H,4-9H2,1-3H3
InChIKeySHAXBHZUSAOFAK-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.81
Rot. Bonds7

About N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428427) has the molecular formula C20H25N5O5S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122428427
Molecular FormulaC20H25N5O5S2
Molecular Weight479.58 g/mol
Exact Mass479.13
IUPAC NameN-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CCO)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C20H25N5O5S2/c1-12-14(4-7-26)17-18(31-12)16(22-20(23-17)25-5-8-30-9-6-25)13-10-15(24-32(3,27)28)19(29-2)21-11-13/h10-11,24,26H,4-9H2,1-3H3
InChIKeySHAXBHZUSAOFAK-UHFFFAOYSA-N
XLogP1.81
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[2-methoxy-5-(7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-pyridinyl]benzenesulfonamide
CID 162371678
N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]methanesulfonamide
CID 122178117
2,4-difluoro-N-[2-methoxy-5-(5-methyl-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178118
N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)pyridin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 122178119
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178120
4-cyano-N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178121
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 141471200
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 141471204
2,4-difluoro-N-[2-methoxy-5-[4-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 141471208
2,4-difluoro-N-[2-methoxy-5-[7-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 162371654
2,4-difluoro-N-[2-methoxy-5-[7-(4-methoxypiperidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 162371656
N-[5-[7-(2,6-dimethylmorpholin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 162371664

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428427) is N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CCO)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is SHAXBHZUSAOFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S2/c1-12-14(4-7-26)17-18(31-12)16(22-20(23-17)25-5-8-30-9-6-25)13-10-15(24-32(3,27)28)19(29-2)21-11-13/h10-11,24,26H,4-9H2,1-3H3.
What are the key properties of N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 479.58 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).