N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C27H28FN5O3 — CID 44529309

IUPACN-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2ncc(F)c(CCN3CCC(CNC(=O)C(=O)c4c[nH]c5ccccc45)CC3)c2n1
InChIInChI=1S/C27H28FN5O3/c1-36-24-7-6-23-25(32-24)19(21(28)16-30-23)10-13-33-11-8-17(9-12-33)14-31-27(35)26(34)20-15-29-22-5-3-2-4-18(20)22/h2-7,15-17,29H,8-14H2,1H3,(H,31,35)
InChIKeyVXCJTJSUZOTXHE-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.51
Rot. Bonds8

About N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 44529309) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID44529309
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC NameN-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2ncc(F)c(CCN3CCC(CNC(=O)C(=O)c4c[nH]c5ccccc45)CC3)c2n1
InChIInChI=1S/C27H28FN5O3/c1-36-24-7-6-23-25(32-24)19(21(28)16-30-23)10-13-33-11-8-17(9-12-33)14-31-27(35)26(34)20-15-29-22-5-3-2-4-18(20)22/h2-7,15-17,29H,8-14H2,1H3,(H,31,35)
InChIKeyVXCJTJSUZOTXHE-UHFFFAOYSA-N
XLogP3.51
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365
[7-Benzyl-2-(5-Fluoro-2-Methylphenoxy)-1-Phenyl-1h-Pyrrolo[2,3-C]pyridin-3-Yl](Piperazin-1-Yl)methanone
CID 53346499
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280148
1-[7-(5-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280149
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280154
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280158
1-[7-(6-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280166
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280172
1-[7-(6-amino-2-pyridyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280184

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 44529309) is N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is COc1ccc2ncc(F)c(CCN3CCC(CNC(=O)C(=O)c4c[nH]c5ccccc45)CC3)c2n1.
What is the InChIKey of N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VXCJTJSUZOTXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-36-24-7-6-23-25(32-24)19(21(28)16-30-23)10-13-33-11-8-17(9-12-33)14-31-27(35)26(34)20-15-29-22-5-3-2-4-18(20)22/h2-7,15-17,29H,8-14H2,1H3,(H,31,35).
What are the key properties of N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 489.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 44529309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).