(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol

C22H23FN4O5S — CID 164612376

IUPAC(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4cc5c(cn4)OCS5)CO3)c2n1
InChIInChI=1S/C22H23FN4O5S/c1-29-20-3-2-16-21(27-20)14(15(23)7-26-16)5-17(28)22-30-9-13(10-31-22)24-6-12-4-19-18(8-25-12)32-11-33-19/h2-4,7-8,13,17,22,24,28H,5-6,9-11H2,1H3/t13?,17-,22?/m0/s1
InChIKeyPNXMNHGKWCLCMU-YBEBCVOYSA-N
MW474.51 g/mol
LogP2.05
Rot. Bonds7

About (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol

(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol (PubChem CID 164612376) has the molecular formula C22H23FN4O5S and a molecular weight of 474.51 g/mol. Its IUPAC name is (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol
PubChem CID164612376
Molecular FormulaC22H23FN4O5S
Molecular Weight474.51 g/mol
Exact Mass474.14
IUPAC Name(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4cc5c(cn4)OCS5)CO3)c2n1
InChIInChI=1S/C22H23FN4O5S/c1-29-20-3-2-16-21(27-20)14(15(23)7-26-16)5-17(28)22-30-9-13(10-31-22)24-6-12-4-19-18(8-25-12)32-11-33-19/h2-4,7-8,13,17,22,24,28H,5-6,9-11H2,1H3/t13?,17-,22?/m0/s1
InChIKeyPNXMNHGKWCLCMU-YBEBCVOYSA-N
XLogP2.05
TPSA107.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol?
The IUPAC name of (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol (CID 164612376) is (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol.
What is the SMILES notation for (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol?
The canonical SMILES for (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol is COc1ccc2ncc(F)c(C[C@H](O)C3OCC(NCc4cc5c(cn4)OCS5)CO3)c2n1.
What is the InChIKey of (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol?
The InChIKey is PNXMNHGKWCLCMU-YBEBCVOYSA-N. The full InChI is InChI=1S/C22H23FN4O5S/c1-29-20-3-2-16-21(27-20)14(15(23)7-26-16)5-17(28)22-30-9-13(10-31-22)24-6-12-4-19-18(8-25-12)32-11-33-19/h2-4,7-8,13,17,22,24,28H,5-6,9-11H2,1H3/t13?,17-,22?/m0/s1.
What are the key properties of (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol?
(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol has a molecular weight of 474.51 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethanol is sourced from PubChem (CID 164612376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).