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

C36H61N7O6S2 — CID 144812403

IUPACtert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane
SMILESCC.CC.CCC.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N(C)C(=O)OC(C)(C)C)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C29H41N7O6S2.C3H8.2C2H6/c1-29(2,3)42-28(37)34(4)21-7-9-35(10-8-21)17-20-18-43-25-23(31-27(32-24(20)25)36-11-13-41-14-12-36)19-15-22(33-44(6,38)39)26(40-5)30-16-19;1-3-2;2*1-2/h15-16,18,21,33H,7-14,17H2,1-6H3;3H2,1-2H3;2*1-2H3
InChIKeyNAYCXQHNQITYGK-UHFFFAOYSA-N
MW752.06 g/mol
LogP7.27
Rot. Bonds8

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

tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane (PubChem CID 144812403) has the molecular formula C36H61N7O6S2 and a molecular weight of 752.06 g/mol. Its IUPAC name is tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane.

Molecular Properties

Compound Nametert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane
PubChem CID144812403
Molecular FormulaC36H61N7O6S2
Molecular Weight752.06 g/mol
Exact Mass751.41
IUPAC Nametert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane
SMILESCC.CC.CCC.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N(C)C(=O)OC(C)(C)C)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C29H41N7O6S2.C3H8.2C2H6/c1-29(2,3)42-28(37)34(4)21-7-9-35(10-8-21)17-20-18-43-25-23(31-27(32-24(20)25)36-11-13-41-14-12-36)19-15-22(33-44(6,38)39)26(40-5)30-16-19;1-3-2;2*1-2/h15-16,18,21,33H,7-14,17H2,1-6H3;3H2,1-2H3;2*1-2H3
InChIKeyNAYCXQHNQITYGK-UHFFFAOYSA-N
XLogP7.27
TPSA139.32 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.06
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

N-[2-methoxy-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]methanesulfonamide
CID 122178117
N-[[5-[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]-7-methylthieno[3,2-d]pyrimidin-4-yl]thiophen-2-yl]methyl]formamide
CID 164618439
N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 164627711
N-[3-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 52931724
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-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide
CID 122428071
N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428439
N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428511
4-[[4-[5-(methanesulfonamido)-6-methoxypyridin-3-yl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 122432278
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]cyclopropanesulfonamide
CID 122432282
N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]methanesulfonamide
CID 122432291
1,1,1-trifluoro-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-methoxypyridin-3-yl]methanesulfonamide
CID 122432295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane?
The IUPAC name of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane (CID 144812403) is tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane.
What is the SMILES notation for tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane?
The canonical SMILES for tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane is CC.CC.CCC.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N(C)C(=O)OC(C)(C)C)CC4)csc23)cc1NS(C)(=O)=O.
What is the InChIKey of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane?
The InChIKey is NAYCXQHNQITYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O6S2.C3H8.2C2H6/c1-29(2,3)42-28(37)34(4)21-7-9-35(10-8-21)17-20-18-43-25-23(31-27(32-24(20)25)36-11-13-41-14-12-36)19-15-22(33-44(6,38)39)26(40-5)30-16-19;1-3-2;2*1-2/h15-16,18,21,33H,7-14,17H2,1-6H3;3H2,1-2H3;2*1-2H3.
What are the key properties of tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane?
tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane has a molecular weight of 752.06 g/mol, XLogP of 7.27, 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]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;ethane;propane is sourced from PubChem (CID 144812403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).