2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

C25H28N6O3 — CID 58989677

IUPAC2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)CN3C4CCC3CC(NCc3ccc5nonc5c3)C4)c2n1
InChIInChI=1S/C25H28N6O3/c1-33-24-7-6-21-25(28-24)19(8-9-26-21)23(32)14-31-17-3-4-18(31)12-16(11-17)27-13-15-2-5-20-22(10-15)30-34-29-20/h2,5-10,16-18,23,27,32H,3-4,11-14H2,1H3
InChIKeyAYBWOQGDIWVUDT-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.99
Rot. Bonds7

About 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 58989677) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID58989677
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)CN3C4CCC3CC(NCc3ccc5nonc5c3)C4)c2n1
InChIInChI=1S/C25H28N6O3/c1-33-24-7-6-21-25(28-24)19(8-9-26-21)23(32)14-31-17-3-4-18(31)12-16(11-17)27-13-15-2-5-20-22(10-15)30-34-29-20/h2,5-10,16-18,23,27,32H,3-4,11-14H2,1H3
InChIKeyAYBWOQGDIWVUDT-UHFFFAOYSA-N
XLogP2.99
TPSA109.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol with MolForge

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Related Compounds

6-[[[8-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 45481000
2-[3-(1,3-benzodioxol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 21104573
6-[[[8-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 58989649
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
6-[[[1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69373936
(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 44535182
6-[[[4-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 58989584
7-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[3,4-b][1,4]thiazin-2-one
CID 10277506
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(2-methoxyquinolin-8-yl)ethanol
CID 141137926
benzyl N-[[(3S)-1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026170
6-[[[8-[2-(6-chloro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58989579
(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine
CID 11654956

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 58989677) is 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2nccc(C(O)CN3C4CCC3CC(NCc3ccc5nonc5c3)C4)c2n1.
What is the InChIKey of 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is AYBWOQGDIWVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-33-24-7-6-21-25(28-24)19(8-9-26-21)23(32)14-31-17-3-4-18(31)12-16(11-17)27-13-15-2-5-20-22(10-15)30-34-29-20/h2,5-10,16-18,23,27,32H,3-4,11-14H2,1H3.
What are the key properties of 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 460.54 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 58989677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).