N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C15H12BrClN4O3S2 — CID 122432319

IUPACN-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C15H12BrClN4O3S2/c1-24-14-10(21-26(22,23)8-2-3-8)4-7(5-18-14)11-13-12(9(16)6-25-13)20-15(17)19-11/h4-6,8,21H,2-3H2,1H3
InChIKeyITQNQEACWWNNSB-UHFFFAOYSA-N
MW475.78 g/mol
LogP4.08
Rot. Bonds5

About N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432319) has the molecular formula C15H12BrClN4O3S2 and a molecular weight of 475.78 g/mol. Its IUPAC name is N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID122432319
Molecular FormulaC15H12BrClN4O3S2
Molecular Weight475.78 g/mol
Exact Mass473.92
IUPAC NameN-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C15H12BrClN4O3S2/c1-24-14-10(21-26(22,23)8-2-3-8)4-7(5-18-14)11-13-12(9(16)6-25-13)20-15(17)19-11/h4-6,8,21H,2-3H2,1H3
InChIKeyITQNQEACWWNNSB-UHFFFAOYSA-N
XLogP4.08
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide with MolForge

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Related Compounds

7-bromo-2-chloro-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidine
CID 158854313
N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]acetamide
CID 122432333
N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide
CID 140963615
N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 160769913
4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide
CID 158289246
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428078
N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 90152177
N-[5-[7-[[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122427967
N-[5-[7-(2-hydroxyethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428427
N-[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 169228387
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(4-propan-2-yloxypiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428076

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 122432319) is N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is ITQNQEACWWNNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O3S2/c1-24-14-10(21-26(22,23)8-2-3-8)4-7(5-18-14)11-13-12(9(16)6-25-13)20-15(17)19-11/h4-6,8,21H,2-3H2,1H3.
What are the key properties of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 475.78 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).