N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

C27H37N7O4S2 — CID 122427973

IUPACN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N5CCCC5)C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H37N7O4S2/c1-18-21(17-32-9-6-20(16-32)33-7-4-5-8-33)24-25(39-18)23(29-27(30-24)34-10-12-38-13-11-34)19-14-22(31-40(3,35)36)26(37-2)28-15-19/h14-15,20,31H,4-13,16-17H2,1-3H3
InChIKeyYQFOWSLJZSHSRJ-UHFFFAOYSA-N
MW587.77 g/mol
LogP2.95
Rot. Bonds8

About N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122427973) has the molecular formula C27H37N7O4S2 and a molecular weight of 587.77 g/mol. Its IUPAC name is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122427973
Molecular FormulaC27H37N7O4S2
Molecular Weight587.77 g/mol
Exact Mass587.23
IUPAC NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N5CCCC5)C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H37N7O4S2/c1-18-21(17-32-9-6-20(16-32)33-7-4-5-8-33)24-25(39-18)23(29-27(30-24)34-10-12-38-13-11-34)19-14-22(31-40(3,35)36)26(37-2)28-15-19/h14-15,20,31H,4-13,16-17H2,1-3H3
InChIKeyYQFOWSLJZSHSRJ-UHFFFAOYSA-N
XLogP2.95
TPSA113.02 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 122427973) is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N5CCCC5)C4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is YQFOWSLJZSHSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O4S2/c1-18-21(17-32-9-6-20(16-32)33-7-4-5-8-33)24-25(39-18)23(29-27(30-24)34-10-12-38-13-11-34)19-14-22(31-40(3,35)36)26(37-2)28-15-19/h14-15,20,31H,4-13,16-17H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 587.77 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122427973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).