methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate

C26H34N6O6S2 — CID 122428518

IUPACmethyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C)sc3c(-c4cnc(OC)c(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C26H34N6O6S2/c1-16-19(15-31-7-5-17(6-8-31)25(33)37-3)22-23(39-16)21(28-26(29-22)32-9-11-38-12-10-32)18-13-20(30-40(4,34)35)24(36-2)27-14-18/h13-14,17,30H,5-12,15H2,1-4H3
InChIKeyHNBCFAFPOAMZRT-UHFFFAOYSA-N
MW590.73 g/mol
LogP2.66
Rot. Bonds8

About methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate

methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate (PubChem CID 122428518) has the molecular formula C26H34N6O6S2 and a molecular weight of 590.73 g/mol. Its IUPAC name is methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate
PubChem CID122428518
Molecular FormulaC26H34N6O6S2
Molecular Weight590.73 g/mol
Exact Mass590.20
IUPAC Namemethyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C)sc3c(-c4cnc(OC)c(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C26H34N6O6S2/c1-16-19(15-31-7-5-17(6-8-31)25(33)37-3)22-23(39-16)21(28-26(29-22)32-9-11-38-12-10-32)18-13-20(30-40(4,34)35)24(36-2)27-14-18/h13-14,17,30H,5-12,15H2,1-4H3
InChIKeyHNBCFAFPOAMZRT-UHFFFAOYSA-N
XLogP2.66
TPSA136.08 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate (CID 122428518) is methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2c(C)sc3c(-c4cnc(OC)c(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate?
The InChIKey is HNBCFAFPOAMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O6S2/c1-16-19(15-31-7-5-17(6-8-31)25(33)37-3)22-23(39-16)21(28-26(29-22)32-9-11-38-12-10-32)18-13-20(30-40(4,34)35)24(36-2)27-14-18/h13-14,17,30H,5-12,15H2,1-4H3.
What are the key properties of methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate has a molecular weight of 590.73 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 122428518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).