5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine

C17H10ClFN4S — CID 71544376

IUPAC5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine
SMILESNc1ncncc1-c1ccnc2c(-c3ccc(F)cc3Cl)csc12
InChIInChI=1S/C17H10ClFN4S/c18-14-5-9(19)1-2-10(14)13-7-24-16-11(3-4-22-15(13)16)12-6-21-8-23-17(12)20/h1-8H,(H2,20,21,23)
InChIKeyOTRGLWNADYYYAR-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.80
Rot. Bonds2

About 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine

5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine (PubChem CID 71544376) has the molecular formula C17H10ClFN4S and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine
PubChem CID71544376
Molecular FormulaC17H10ClFN4S
Molecular Weight356.81 g/mol
Exact Mass356.03
IUPAC Name5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine
SMILESNc1ncncc1-c1ccnc2c(-c3ccc(F)cc3Cl)csc12
InChIInChI=1S/C17H10ClFN4S/c18-14-5-9(19)1-2-10(14)13-7-24-16-11(3-4-22-15(13)16)12-6-21-8-23-17(12)20/h1-8H,(H2,20,21,23)
InChIKeyOTRGLWNADYYYAR-UHFFFAOYSA-N
XLogP4.80
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine?
The IUPAC name of 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine (CID 71544376) is 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine?
The canonical SMILES for 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine is Nc1ncncc1-c1ccnc2c(-c3ccc(F)cc3Cl)csc12.
What is the InChIKey of 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine?
The InChIKey is OTRGLWNADYYYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4S/c18-14-5-9(19)1-2-10(14)13-7-24-16-11(3-4-22-15(13)16)12-6-21-8-23-17(12)20/h1-8H,(H2,20,21,23).
What are the key properties of 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine?
5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine has a molecular weight of 356.81 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine is sourced from PubChem (CID 71544376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).