N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C27H39N7O5S2 — CID 122428436

IUPACN-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(C)(C)O)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H39N7O5S2/c1-18-20(16-32-6-8-33(9-7-32)17-27(2,3)35)23-24(40-18)22(29-26(30-23)34-10-12-39-13-11-34)19-14-21(31-41(5,36)37)25(38-4)28-15-19/h14-15,31,35H,6-13,16-17H2,1-5H3
InChIKeyNUXRPLAUAAGNPZ-UHFFFAOYSA-N
MW605.79 g/mol
LogP2.17
Rot. Bonds9

About N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122428436) has the molecular formula C27H39N7O5S2 and a molecular weight of 605.79 g/mol. Its IUPAC name is N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122428436
Molecular FormulaC27H39N7O5S2
Molecular Weight605.79 g/mol
Exact Mass605.25
IUPAC NameN-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(C)(C)O)CC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C27H39N7O5S2/c1-18-20(16-32-6-8-33(9-7-32)17-27(2,3)35)23-24(40-18)22(29-26(30-23)34-10-12-39-13-11-34)19-14-21(31-41(5,36)37)25(38-4)28-15-19/h14-15,31,35H,6-13,16-17H2,1-5H3
InChIKeyNUXRPLAUAAGNPZ-UHFFFAOYSA-N
XLogP2.17
TPSA133.25 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-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

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428072
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-[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
N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428074
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-[[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122432392
1,1-difluoro-N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]prop-2-ene-1-sulfonamide
CID 135295467
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
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
4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-ethylpiperazin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine
CID 158238959
potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride
CID 158309717
N-[5-[7-[(4-ethoxypiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfinamide
CID 144812342

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122428436) is N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-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-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(C)(C)O)CC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is NUXRPLAUAAGNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O5S2/c1-18-20(16-32-6-8-33(9-7-32)17-27(2,3)35)23-24(40-18)22(29-26(30-23)34-10-12-39-13-11-34)19-14-21(31-41(5,36)37)25(38-4)28-15-19/h14-15,31,35H,6-13,16-17H2,1-5H3.
What are the key properties of N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 605.79 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).