2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C15H14BrClFN3OS — CID 162390894

IUPAC2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESN[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H14BrClFN3OS/c16-13-11(4-8(19)6-18)23-15-10(5-12(17)21-14(13)15)20-7-9-2-1-3-22-9/h1-3,5,8H,4,6-7,19H2,(H,20,21)/t8-/m1/s1
InChIKeyXUJDVDZSIWECAZ-MRVPVSSYSA-N
MW418.72 g/mol
LogP4.76
Rot. Bonds6

About 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 162390894) has the molecular formula C15H14BrClFN3OS and a molecular weight of 418.72 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID162390894
Molecular FormulaC15H14BrClFN3OS
Molecular Weight418.72 g/mol
Exact Mass416.97
IUPAC Name2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESN[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H14BrClFN3OS/c16-13-11(4-8(19)6-18)23-15-10(5-12(17)21-14(13)15)20-7-9-2-1-3-22-9/h1-3,5,8H,4,6-7,19H2,(H,20,21)/t8-/m1/s1
InChIKeyXUJDVDZSIWECAZ-MRVPVSSYSA-N
XLogP4.76
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 162390894) is 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is N[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.
What is the InChIKey of 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is XUJDVDZSIWECAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14BrClFN3OS/c16-13-11(4-8(19)6-18)23-15-10(5-12(17)21-14(13)15)20-7-9-2-1-3-22-9/h1-3,5,8H,4,6-7,19H2,(H,20,21)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 418.72 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 162390894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).