(1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol

C24H28FN5O4 — CID 57402816

IUPAC(1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c([C@H](O)CN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C24H28FN5O4/c1-32-22-3-2-18-24(29-22)23(17(25)12-28-18)19(31)14-30-6-4-15(5-7-30)26-11-16-10-20-21(13-27-16)34-9-8-33-20/h2-3,10,12-13,15,19,26,31H,4-9,11,14H2,1H3/t19-/m1/s1
InChIKeyRZRAMVRYNHVTFQ-LJQANCHMSA-N
MW469.52 g/mol
LogP2.23
Rot. Bonds7

About (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol

(1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 57402816) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID57402816
Molecular FormulaC24H28FN5O4
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC Name(1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c([C@H](O)CN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C24H28FN5O4/c1-32-22-3-2-18-24(29-22)23(17(25)12-28-18)19(31)14-30-6-4-15(5-7-30)26-11-16-10-20-21(13-27-16)34-9-8-33-20/h2-3,10,12-13,15,19,26,31H,4-9,11,14H2,1H3/t19-/m1/s1
InChIKeyRZRAMVRYNHVTFQ-LJQANCHMSA-N
XLogP2.23
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 57402816) is (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2ncc(F)c([C@H](O)CN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.
What is the InChIKey of (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is RZRAMVRYNHVTFQ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-32-22-3-2-18-24(29-22)23(17(25)12-28-18)19(31)14-30-6-4-15(5-7-30)26-11-16-10-20-21(13-27-16)34-9-8-33-20/h2-3,10,12-13,15,19,26,31H,4-9,11,14H2,1H3/t19-/m1/s1.
What are the key properties of (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
(1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 469.52 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 57402816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).