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

C26H32F3N7O5S2 — CID 122432504

IUPAC1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(=O)NCC(F)(F)F)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C26H32F3N7O5S2/c1-40-24-19(34-43(2,38)39)11-17(12-30-24)20-22-21(33-25(32-20)36-7-9-41-10-8-36)18(14-42-22)13-35-5-3-16(4-6-35)23(37)31-15-26(27,28)29/h11-12,14,16,34H,3-10,13,15H2,1-2H3,(H,31,37)
InChIKeyTZOOTSQSVOJHSS-UHFFFAOYSA-N
MW643.71 g/mol
LogP2.86
Rot. Bonds9

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

1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 122432504) has the molecular formula C26H32F3N7O5S2 and a molecular weight of 643.71 g/mol. Its IUPAC name is 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID122432504
Molecular FormulaC26H32F3N7O5S2
Molecular Weight643.71 g/mol
Exact Mass643.19
IUPAC Name1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(=O)NCC(F)(F)F)CC4)csc23)cc1NS(C)(=O)=O
InChIInChI=1S/C26H32F3N7O5S2/c1-40-24-19(34-43(2,38)39)11-17(12-30-24)20-22-21(33-25(32-20)36-7-9-41-10-8-36)18(14-42-22)13-35-5-3-16(4-6-35)23(37)31-15-26(27,28)29/h11-12,14,16,34H,3-10,13,15H2,1-2H3,(H,31,37)
InChIKeyTZOOTSQSVOJHSS-UHFFFAOYSA-N
XLogP2.86
TPSA138.88 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.71
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 122432504) is 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(=O)NCC(F)(F)F)CC4)csc23)cc1NS(C)(=O)=O.
What is the InChIKey of 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is TZOOTSQSVOJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N7O5S2/c1-40-24-19(34-43(2,38)39)11-17(12-30-24)20-22-21(33-25(32-20)36-7-9-41-10-8-36)18(14-42-22)13-35-5-3-16(4-6-35)23(37)31-15-26(27,28)29/h11-12,14,16,34H,3-10,13,15H2,1-2H3,(H,31,37).
What are the key properties of 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 643.71 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 122432504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).