tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate

C20H30N4O2S — CID 139938433

IUPACtert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCc1nc2ccsc2c(NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1N
InChIInChI=1S/C20H30N4O2S/c1-13-16(21)17(18-15(23-13)8-12-27-18)22-9-5-14-6-10-24(11-7-14)19(25)26-20(2,3)4/h8,12,14H,5-7,9-11,21H2,1-4H3,(H,22,23)
InChIKeyDXBQJIWJKYTAQS-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.64
Rot. Bonds4

About tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 139938433) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate
PubChem CID139938433
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Nametert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCc1nc2ccsc2c(NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1N
InChIInChI=1S/C20H30N4O2S/c1-13-16(21)17(18-15(23-13)8-12-27-18)22-9-5-14-6-10-24(11-7-14)19(25)26-20(2,3)4/h8,12,14H,5-7,9-11,21H2,1-4H3,(H,22,23)
InChIKeyDXBQJIWJKYTAQS-UHFFFAOYSA-N
XLogP4.64
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate (CID 139938433) is tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate is Cc1nc2ccsc2c(NCCC2CCN(C(=O)OC(C)(C)C)CC2)c1N.
What is the InChIKey of tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is DXBQJIWJKYTAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-13-16(21)17(18-15(23-13)8-12-27-18)22-9-5-14-6-10-24(11-7-14)19(25)26-20(2,3)4/h8,12,14H,5-7,9-11,21H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 390.55 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(6-amino-5-methylthieno[3,2-b]pyridin-7-yl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 139938433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).