pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate

C26H26FN5O2 — CID 68751529

IUPACpyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)Oc2cnccn2)CC1
InChIInChI=1S/C26H26FN5O2/c1-31-12-7-22(8-13-31)32(26(33)34-25-16-28-10-11-30-25)17-21-15-18(2-4-23(21)27)19-3-5-24-20(14-19)6-9-29-24/h2-6,9-11,14-16,22,29H,7-8,12-13,17H2,1H3
InChIKeyXKJJDVGSHIHOAN-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.86
Rot. Bonds5

About pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate

pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 68751529) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Namepyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID68751529
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Namepyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)Oc2cnccn2)CC1
InChIInChI=1S/C26H26FN5O2/c1-31-12-7-22(8-13-31)32(26(33)34-25-16-28-10-11-30-25)17-21-15-18(2-4-23(21)27)19-3-5-24-20(14-19)6-9-29-24/h2-6,9-11,14-16,22,29H,7-8,12-13,17H2,1H3
InChIKeyXKJJDVGSHIHOAN-UHFFFAOYSA-N
XLogP4.86
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate (CID 68751529) is pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)Oc2cnccn2)CC1.
What is the InChIKey of pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is XKJJDVGSHIHOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-31-12-7-22(8-13-31)32(26(33)34-25-16-28-10-11-30-25)17-21-15-18(2-4-23(21)27)19-3-5-24-20(14-19)6-9-29-24/h2-6,9-11,14-16,22,29H,7-8,12-13,17H2,1H3.
What are the key properties of pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate?
pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 459.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 68751529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).