2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine

C17H14N4S — CID 168774156

IUPAC2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine
SMILESc1cc2sc(-c3c[nH]c4nc(C5CCC5)ncc34)cc2cn1
InChIInChI=1S/C17H14N4S/c1-2-10(3-1)16-19-9-13-12(8-20-17(13)21-16)15-6-11-7-18-5-4-14(11)22-15/h4-10H,1-3H2,(H,19,20,21)
InChIKeyCIKHUHXYXYONRF-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.50
Rot. Bonds2

About 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine

2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine (PubChem CID 168774156) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine
PubChem CID168774156
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine
SMILESc1cc2sc(-c3c[nH]c4nc(C5CCC5)ncc34)cc2cn1
InChIInChI=1S/C17H14N4S/c1-2-10(3-1)16-19-9-13-12(8-20-17(13)21-16)15-6-11-7-18-5-4-14(11)22-15/h4-10H,1-3H2,(H,19,20,21)
InChIKeyCIKHUHXYXYONRF-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine?
The IUPAC name of 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine (CID 168774156) is 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine is c1cc2sc(-c3c[nH]c4nc(C5CCC5)ncc34)cc2cn1.
What is the InChIKey of 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine?
The InChIKey is CIKHUHXYXYONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-10(3-1)16-19-9-13-12(8-20-17(13)21-16)15-6-11-7-18-5-4-14(11)22-15/h4-10H,1-3H2,(H,19,20,21).
What are the key properties of 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine?
2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine has a molecular weight of 306.39 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 168774156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).