(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C24H23N5OS — CID 51957204

IUPAC(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C24H23N5OS/c1-15-10-11-17(21(25)30)13-29(15)23-20-18(16-7-3-2-4-8-16)14-31-24(20)28-22(27-23)19-9-5-6-12-26-19/h2-9,12,14-15,17H,10-11,13H2,1H3,(H2,25,30)/t15-,17+/m1/s1
InChIKeyWFTGMOCJRSNAQJ-WBVHZDCISA-N
MW429.55 g/mol
LogP4.51
Rot. Bonds4

About (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 51957204) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID51957204
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C24H23N5OS/c1-15-10-11-17(21(25)30)13-29(15)23-20-18(16-7-3-2-4-8-16)14-31-24(20)28-22(27-23)19-9-5-6-12-26-19/h2-9,12,14-15,17H,10-11,13H2,1H3,(H2,25,30)/t15-,17+/m1/s1
InChIKeyWFTGMOCJRSNAQJ-WBVHZDCISA-N
XLogP4.51
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
7-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 56803860
2-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146396079
2-cyclopentyl-1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 30807164
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one
CID 149311701
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one
CID 157342130
4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 133271082
(2R,4S)-4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 11923372
1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 133278712
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 9280455

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 51957204) is (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is WFTGMOCJRSNAQJ-WBVHZDCISA-N. The full InChI is InChI=1S/C24H23N5OS/c1-15-10-11-17(21(25)30)13-29(15)23-20-18(16-7-3-2-4-8-16)14-31-24(20)28-22(27-23)19-9-5-6-12-26-19/h2-9,12,14-15,17H,10-11,13H2,1H3,(H2,25,30)/t15-,17+/m1/s1.
What are the key properties of (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51957204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).