tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate

C28H39N7O6S2 — CID 122428466

IUPACtert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CC(N(C)C(=O)OC(C)(C)C)C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C28H39N7O6S2/c1-17-20(16-34-14-19(15-34)33(5)27(36)41-28(2,3)4)23-24(42-17)22(30-26(31-23)35-8-10-40-11-9-35)18-12-21(32-43(7,37)38)25(39-6)29-13-18/h12-13,19,32H,8-11,14-16H2,1-7H3
InChIKeyPFTPJQPGRBTVCQ-UHFFFAOYSA-N
MW633.80 g/mol
LogP3.33
Rot. Bonds8

About tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate (PubChem CID 122428466) has the molecular formula C28H39N7O6S2 and a molecular weight of 633.80 g/mol. Its IUPAC name is tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate
PubChem CID122428466
Molecular FormulaC28H39N7O6S2
Molecular Weight633.80 g/mol
Exact Mass633.24
IUPAC Nametert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CC(N(C)C(=O)OC(C)(C)C)C4)c(C)sc23)cc1NS(C)(=O)=O
InChIInChI=1S/C28H39N7O6S2/c1-17-20(16-34-14-19(15-34)33(5)27(36)41-28(2,3)4)23-24(42-17)22(30-26(31-23)35-8-10-40-11-9-35)18-12-21(32-43(7,37)38)25(39-6)29-13-18/h12-13,19,32H,8-11,14-16H2,1-7H3
InChIKeyPFTPJQPGRBTVCQ-UHFFFAOYSA-N
XLogP3.33
TPSA139.32 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate (CID 122428466) is tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CC(N(C)C(=O)OC(C)(C)C)C4)c(C)sc23)cc1NS(C)(=O)=O.
What is the InChIKey of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate?
The InChIKey is PFTPJQPGRBTVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7O6S2/c1-17-20(16-34-14-19(15-34)33(5)27(36)41-28(2,3)4)23-24(42-17)22(30-26(31-23)35-8-10-40-11-9-35)18-12-21(32-43(7,37)38)25(39-6)29-13-18/h12-13,19,32H,8-11,14-16H2,1-7H3.
What are the key properties of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate has a molecular weight of 633.80 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 122428466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).