methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate

C32H37N5O7 — CID 123190741

IUPACmethyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1COc1cnc2ccc(=O)n(CCC34CCC(CC3)C(NCc3ccc5c(n3)NC(=O)CO5)CO4)c2c1
InChIInChI=1S/C32H37N5O7/c1-41-31(40)23-12-20(23)16-42-22-13-26-24(34-15-22)3-5-29(39)37(26)11-10-32-8-6-19(7-9-32)25(17-44-32)33-14-21-2-4-27-30(35-21)36-28(38)18-43-27/h2-5,13,15,19-20,23,25,33H,6-12,14,16-18H2,1H3,(H,35,36,38)
InChIKeyMNQDDPCZZQPBPD-UHFFFAOYSA-N
MW603.68 g/mol
LogP2.82
Rot. Bonds10

About methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate

methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate (PubChem CID 123190741) has the molecular formula C32H37N5O7 and a molecular weight of 603.68 g/mol. Its IUPAC name is methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate
PubChem CID123190741
Molecular FormulaC32H37N5O7
Molecular Weight603.68 g/mol
Exact Mass603.27
IUPAC Namemethyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1COc1cnc2ccc(=O)n(CCC34CCC(CC3)C(NCc3ccc5c(n3)NC(=O)CO5)CO4)c2c1
InChIInChI=1S/C32H37N5O7/c1-41-31(40)23-12-20(23)16-42-22-13-26-24(34-15-22)3-5-29(39)37(26)11-10-32-8-6-19(7-9-32)25(17-44-32)33-14-21-2-4-27-30(35-21)36-28(38)18-43-27/h2-5,13,15,19-20,23,25,33H,6-12,14,16-18H2,1H3,(H,35,36,38)
InChIKeyMNQDDPCZZQPBPD-UHFFFAOYSA-N
XLogP2.82
TPSA142.90 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.68
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90363084
6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766
6-[[[2-[1-hydroxy-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146503229
but-2-enedioic acid;6-[[[(3S,4S)-4-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 68993659
2-[[5-[2-[4-[methyl-(3-oxo-1,2-dihydropyrido[2,3-b][1,4]oxazin-6-yl)amino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-oxo-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylic acid;hydrochloride
CID 71151034
6-[2-[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58523967
6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71153008
6-[2-[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]amino]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 143612708
6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130303467
7-chloro-6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-methoxy-1-propyl-1,5-naphthyridin-2-one
CID 143612671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate (CID 123190741) is methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate is COC(=O)C1CC1COc1cnc2ccc(=O)n(CCC34CCC(CC3)C(NCc3ccc5c(n3)NC(=O)CO5)CO4)c2c1.
What is the InChIKey of methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate?
The InChIKey is MNQDDPCZZQPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O7/c1-41-31(40)23-12-20(23)16-42-22-13-26-24(34-15-22)3-5-29(39)37(26)11-10-32-8-6-19(7-9-32)25(17-44-32)33-14-21-2-4-27-30(35-21)36-28(38)18-43-27/h2-5,13,15,19-20,23,25,33H,6-12,14,16-18H2,1H3,(H,35,36,38).
What are the key properties of methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate?
methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate has a molecular weight of 603.68 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 123190741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).