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

C20H22BrN5O4S2 — CID 122432317

IUPACN-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C20H22BrN5O4S2/c1-11-15(21)17-18(31-11)16(23-20(24-17)26-5-7-30-8-6-26)12-9-14(19(29-2)22-10-12)25-32(27,28)13-3-4-13/h9-10,13,25H,3-8H2,1-2H3
InChIKeyHSRMUHRFXKMSAD-UHFFFAOYSA-N
MW540.47 g/mol
LogP3.57
Rot. Bonds6

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

N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432317) has the molecular formula C20H22BrN5O4S2 and a molecular weight of 540.47 g/mol. Its IUPAC name is N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID122432317
Molecular FormulaC20H22BrN5O4S2
Molecular Weight540.47 g/mol
Exact Mass539.03
IUPAC NameN-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C20H22BrN5O4S2/c1-11-15(21)17-18(31-11)16(23-20(24-17)26-5-7-30-8-6-26)12-9-14(19(29-2)22-10-12)25-32(27,28)13-3-4-13/h9-10,13,25H,3-8H2,1-2H3
InChIKeyHSRMUHRFXKMSAD-UHFFFAOYSA-N
XLogP3.57
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 122432317) is N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is HSRMUHRFXKMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O4S2/c1-11-15(21)17-18(31-11)16(23-20(24-17)26-5-7-30-8-6-26)12-9-14(19(29-2)22-10-12)25-32(27,28)13-3-4-13/h9-10,13,25H,3-8H2,1-2H3.
What are the key properties of N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 540.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).