2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C15H14BrClFN3OS — CID 162390873

IUPAC2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESC[C@H](N)C(F)c1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H14BrClFN3OS/c1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8/h2-5,7,12H,6,19H2,1H3,(H,20,21)/t7-,12?/m0/s1
InChIKeyTXBBAXHUFAMFSW-KAJCPDDVSA-N
MW418.72 g/mol
LogP5.28
Rot. Bonds5

About 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 162390873) has the molecular formula C15H14BrClFN3OS and a molecular weight of 418.72 g/mol. Its IUPAC name is 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID162390873
Molecular FormulaC15H14BrClFN3OS
Molecular Weight418.72 g/mol
Exact Mass416.97
IUPAC Name2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESC[C@H](N)C(F)c1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H14BrClFN3OS/c1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8/h2-5,7,12H,6,19H2,1H3,(H,20,21)/t7-,12?/m0/s1
InChIKeyTXBBAXHUFAMFSW-KAJCPDDVSA-N
XLogP5.28
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.72
LogP ≤ 55.28
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-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 162390873) is 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is C[C@H](N)C(F)c1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.
What is the InChIKey of 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is TXBBAXHUFAMFSW-KAJCPDDVSA-N. The full InChI is InChI=1S/C15H14BrClFN3OS/c1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8/h2-5,7,12H,6,19H2,1H3,(H,20,21)/t7-,12?/m0/s1.
What are the key properties of 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
2-[(2S)-2-amino-1-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 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 162390873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).