methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate

C26H28F2N4O5 — CID 68685413

IUPACmethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(NC(=O)OCc2ccccc2)C(F)C1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C26H28F2N4O5/c1-35-22-9-8-21-24(31-22)23(18(27)12-29-21)17(25(33)36-2)13-32-11-10-20(19(28)14-32)30-26(34)37-15-16-6-4-3-5-7-16/h3-9,12,17,19-20H,10-11,13-15H2,1-2H3,(H,30,34)
InChIKeySTOYXVOQRCPQDD-UHFFFAOYSA-N
MW514.53 g/mol
LogP3.37
Rot. Bonds8

About methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate

methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate (PubChem CID 68685413) has the molecular formula C26H28F2N4O5 and a molecular weight of 514.53 g/mol. Its IUPAC name is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate
PubChem CID68685413
Molecular FormulaC26H28F2N4O5
Molecular Weight514.53 g/mol
Exact Mass514.20
IUPAC Namemethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate
SMILESCOC(=O)C(CN1CCC(NC(=O)OCc2ccccc2)C(F)C1)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C26H28F2N4O5/c1-35-22-9-8-21-24(31-22)23(18(27)12-29-21)17(25(33)36-2)13-32-11-10-20(19(28)14-32)30-26(34)37-15-16-6-4-3-5-7-16/h3-9,12,17,19-20H,10-11,13-15H2,1-2H3,(H,30,34)
InChIKeySTOYXVOQRCPQDD-UHFFFAOYSA-N
XLogP3.37
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl N-[(3R,4S,5S)-3-amino-1-[3-[[6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937625
N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid
CID 44535067
Ethyl 4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate
CID 156021830
NBTIs-IN-5
CID 163408985
N-(6-Methoxy-1,5-naphthyridin-4-yl)-1-(4-(trifluoromethyl)phenethyl)piperidine-4-carboxamide
CID 163408986
N-[(2,3-difluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164623699
N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164626715
1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
CID 166627743
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 166629452
(3R,4R)-1-[3-(2,5-difluorophenyl)cyclobutyl]-4-[(3S)-3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid
CID 137649357
1-[1-[2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine
CID 177378142
N-(6-methoxy-3-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134805769

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate?
The IUPAC name of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate (CID 68685413) is methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate?
The canonical SMILES for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate is COC(=O)C(CN1CCC(NC(=O)OCc2ccccc2)C(F)C1)c1c(F)cnc2ccc(OC)nc12.
What is the InChIKey of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate?
The InChIKey is STOYXVOQRCPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O5/c1-35-22-9-8-21-24(31-22)23(18(27)12-29-21)17(25(33)36-2)13-32-11-10-20(19(28)14-32)30-26(34)37-15-16-6-4-3-5-7-16/h3-9,12,17,19-20H,10-11,13-15H2,1-2H3,(H,30,34).
What are the key properties of methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate?
methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate has a molecular weight of 514.53 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-[3-fluoro-4-(phenylmethoxycarbonylamino)piperidin-1-yl]propanoate is sourced from PubChem (CID 68685413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).