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

C24H28FN5O4 — CID 10030238

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)C(O)C3)c2n1
InChIInChI=1S/C24H28FN5O4/c1-32-23-3-2-19-24(29-23)16(17(25)12-28-19)4-6-30-7-5-18(20(31)14-30)27-11-15-10-21-22(13-26-15)34-9-8-33-21/h2-3,10,12-13,18,20,27,31H,4-9,11,14H2,1H3
InChIKeyZVNXZBKZPNNNOA-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.71
Rot. Bonds7

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

4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol (PubChem CID 10030238) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
PubChem CID10030238
Molecular FormulaC24H28FN5O4
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)C(O)C3)c2n1
InChIInChI=1S/C24H28FN5O4/c1-32-23-3-2-19-24(29-23)16(17(25)12-28-19)4-6-30-7-5-18(20(31)14-30)27-11-15-10-21-22(13-26-15)34-9-8-33-21/h2-3,10,12-13,18,20,27,31H,4-9,11,14H2,1H3
InChIKeyZVNXZBKZPNNNOA-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10097082
(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
CID 11698127
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123
(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine
CID 73333522
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503169
2-[5-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 146503194
2-[5-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 146550997
NBTIs-IN-6
CID 162669411
(3S,3aR,6R,6aS)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol
CID 162676084
(1S)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-dioxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 164622331

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol?
The IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol (CID 10030238) is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol?
The canonical SMILES for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol is COc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)C(O)C3)c2n1.
What is the InChIKey of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol?
The InChIKey is ZVNXZBKZPNNNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-32-23-3-2-19-24(29-23)16(17(25)12-28-19)4-6-30-7-5-18(20(31)14-30)27-11-15-10-21-22(13-26-15)34-9-8-33-21/h2-3,10,12-13,18,20,27,31H,4-9,11,14H2,1H3.
What are the key properties of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol?
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol has a molecular weight of 469.52 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol is sourced from PubChem (CID 10030238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).