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

C23H29N5O6S2 — CID 122428078

IUPACN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(OC4CCOCC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C23H29N5O6S2/c1-14-20(34-16-4-8-32-9-5-16)19-21(35-14)18(25-23(26-19)28-6-10-33-11-7-28)15-12-17(27-36(3,29)30)22(31-2)24-13-15/h12-13,16,27H,4-11H2,1-3H3
InChIKeyHBXMNFXPUUREJX-UHFFFAOYSA-N
MW535.65 g/mol
LogP2.84
Rot. Bonds7

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

N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 122428078) has the molecular formula C23H29N5O6S2 and a molecular weight of 535.65 g/mol. Its IUPAC name is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID122428078
Molecular FormulaC23H29N5O6S2
Molecular Weight535.65 g/mol
Exact Mass535.16
IUPAC NameN-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(OC4CCOCC4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C23H29N5O6S2/c1-14-20(34-16-4-8-32-9-5-16)19-21(35-14)18(25-23(26-19)28-6-10-33-11-7-28)15-12-17(27-36(3,29)30)22(31-2)24-13-15/h12-13,16,27H,4-11H2,1-3H3
InChIKeyHBXMNFXPUUREJX-UHFFFAOYSA-N
XLogP2.84
TPSA125.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

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-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428072
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-[[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
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
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-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122502494
N-[5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-chloro-3-pyridinyl]methanesulfonamide
CID 122432553
N-[5-[6-fluoro-8-[3-(2-hydroxypropan-2-yl)cyclobutyl]oxy-2-morpholin-4-ylquinazolin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122502499
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
1-[4-[6-fluoro-4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylquinazolin-8-yl]oxycyclohexyl]-N-hydroxypiperidine-4-carboxamide
CID 171740273

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)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-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide (CID 122428078) is N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)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-(oxan-4-yloxy)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-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(OC4CCOCC4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is HBXMNFXPUUREJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O6S2/c1-14-20(34-16-4-8-32-9-5-16)19-21(35-14)18(25-23(26-19)28-6-10-33-11-7-28)15-12-17(27-36(3,29)30)22(31-2)24-13-15/h12-13,16,27H,4-11H2,1-3H3.
What are the key properties of N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 535.65 g/mol, XLogP of 2.84, 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-[6-methyl-2-morpholin-4-yl-7-(oxan-4-yloxy)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122428078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).