2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

C27H30N4O4 — CID 69472341

IUPAC2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)CN3CC4C(C3)C4NC(C3=CC=CCC3)C3=COC=CO3)c2n1
InChIInChI=1S/C27H30N4O4/c1-33-24-8-7-21-27(29-24)18(9-10-28-21)22(32)15-31-13-19-20(14-31)26(19)30-25(17-5-3-2-4-6-17)23-16-34-11-12-35-23/h2-3,5,7-12,16,19-20,22,25-26,30,32H,4,6,13-15H2,1H3
InChIKeyAILLOUIFCPOIFV-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.20
Rot. Bonds8

About 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 69472341) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID69472341
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)CN3CC4C(C3)C4NC(C3=CC=CCC3)C3=COC=CO3)c2n1
InChIInChI=1S/C27H30N4O4/c1-33-24-8-7-21-27(29-24)18(9-10-28-21)22(32)15-31-13-19-20(14-31)26(19)30-25(17-5-3-2-4-6-17)23-16-34-11-12-35-23/h2-3,5,7-12,16,19-20,22,25-26,30,32H,4,6,13-15H2,1H3
InChIKeyAILLOUIFCPOIFV-UHFFFAOYSA-N
XLogP3.20
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 69441411
2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide
CID 69473115
(3R,6S)-N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-6-[(3-methoxyquinoxalin-5-yl)oxymethyl]oxan-3-amine
CID 69469126
N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]piperidin-4-amine
CID 66747356
(3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66736118
(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
benzyl N-[[(3S)-1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026170
2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]-3-fluoropiperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 91281604
(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-[[[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
2-[3-[[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]methyl]piperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 91110553
6-[[[(2R)-4-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 59003262

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 69472341) is 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2nccc(C(O)CN3CC4C(C3)C4NC(C3=CC=CCC3)C3=COC=CO3)c2n1.
What is the InChIKey of 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is AILLOUIFCPOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-33-24-8-7-21-27(29-24)18(9-10-28-21)22(32)15-31-13-19-20(14-31)26(19)30-25(17-5-3-2-4-6-17)23-16-34-11-12-35-23/h2-3,5,7-12,16,19-20,22,25-26,30,32H,4,6,13-15H2,1H3.
What are the key properties of 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 474.56 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 69472341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).