N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

C27H36N8O5S2 — CID 122428468

IUPACN-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)N5CCCC5)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H36N8O5S2/c1-39-25-21(31-42(2,37)38)15-19(16-28-25)22-24-23(30-26(29-22)33-11-13-40-14-12-33)20(18-41-24)17-32-7-9-35(10-8-32)27(36)34-5-3-4-6-34/h15-16,18,31H,3-14,17H2,1-2H3
InChIKeyGJLJGEMUHCQQGC-UHFFFAOYSA-N
MW616.77 g/mol
LogP2.30
Rot. Bonds7

About N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122428468) has the molecular formula C27H36N8O5S2 and a molecular weight of 616.77 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122428468
Molecular FormulaC27H36N8O5S2
Molecular Weight616.77 g/mol
Exact Mass616.23
IUPAC NameN-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)N5CCCC5)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H36N8O5S2/c1-39-25-21(31-42(2,37)38)15-19(16-28-25)22-24-23(30-26(29-22)33-11-13-40-14-12-33)20(18-41-24)17-32-7-9-35(10-8-32)27(36)34-5-3-4-6-34/h15-16,18,31H,3-14,17H2,1-2H3
InChIKeyGJLJGEMUHCQQGC-UHFFFAOYSA-N
XLogP2.30
TPSA133.33 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-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-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 122428468) is N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)N5CCCC5)CC4)csc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is GJLJGEMUHCQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O5S2/c1-39-25-21(31-42(2,37)38)15-19(16-28-25)22-24-23(30-26(29-22)33-11-13-40-14-12-33)20(18-41-24)17-32-7-9-35(10-8-32)27(36)34-5-3-4-6-34/h15-16,18,31H,3-14,17H2,1-2H3.
What are the key properties of N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 616.77 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).