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

C15H14Cl2FN3OS — CID 162391038

IUPAC2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESN[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl
InChIInChI=1S/C15H14Cl2FN3OS/c16-12-5-10(20-7-9-2-1-3-22-9)15-14(21-12)13(17)11(23-15)4-8(19)6-18/h1-3,5,8H,4,6-7,19H2,(H,20,21)/t8-/m1/s1
InChIKeyRMCBRNBMWVARDB-MRVPVSSYSA-N
MW374.27 g/mol
LogP4.65
Rot. Bonds6

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

2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 162391038) has the molecular formula C15H14Cl2FN3OS and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID162391038
Molecular FormulaC15H14Cl2FN3OS
Molecular Weight374.27 g/mol
Exact Mass373.02
IUPAC Name2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESN[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl
InChIInChI=1S/C15H14Cl2FN3OS/c16-12-5-10(20-7-9-2-1-3-22-9)15-14(21-12)13(17)11(23-15)4-8(19)6-18/h1-3,5,8H,4,6-7,19H2,(H,20,21)/t8-/m1/s1
InChIKeyRMCBRNBMWVARDB-MRVPVSSYSA-N
XLogP4.65
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.65
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]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 162391038) is 2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is N[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl.
What is the InChIKey of 2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is RMCBRNBMWVARDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3OS/c16-12-5-10(20-7-9-2-1-3-22-9)15-14(21-12)13(17)11(23-15)4-8(19)6-18/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]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 374.27 g/mol, XLogP of 4.65, 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]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 162391038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).