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

C16H17ClFN3OS — CID 162390830

IUPAC2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C[C@@H](N)CF)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H17ClFN3OS/c1-9-13(5-10(19)7-18)23-16-12(6-14(17)21-15(9)16)20-8-11-3-2-4-22-11/h2-4,6,10H,5,7-8,19H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyYXXNDNGTDPLIMF-SNVBAGLBSA-N
MW353.85 g/mol
LogP4.30
Rot. Bonds6

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

2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (PubChem CID 162390830) has the molecular formula C16H17ClFN3OS and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
PubChem CID162390830
Molecular FormulaC16H17ClFN3OS
Molecular Weight353.85 g/mol
Exact Mass353.08
IUPAC Name2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(C[C@@H](N)CF)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H17ClFN3OS/c1-9-13(5-10(19)7-18)23-16-12(6-14(17)21-15(9)16)20-8-11-3-2-4-22-11/h2-4,6,10H,5,7-8,19H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyYXXNDNGTDPLIMF-SNVBAGLBSA-N
XLogP4.30
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.30
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]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (CID 162390830) is 2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is Cc1c(C[C@@H](N)CF)sc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The InChIKey is YXXNDNGTDPLIMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClFN3OS/c1-9-13(5-10(19)7-18)23-16-12(6-14(17)21-15(9)16)20-8-11-3-2-4-22-11/h2-4,6,10H,5,7-8,19H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine has a molecular weight of 353.85 g/mol, XLogP of 4.30, 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]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 162390830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).