N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

C18H18FN5O — CID 167831605

IUPACN-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2cccc(F)c12)N1CCc2nccnc2C1
InChIInChI=1S/C18H18FN5O/c19-13-2-1-3-15-17(13)12(10-23-15)4-6-22-18(25)24-9-5-14-16(11-24)21-8-7-20-14/h1-3,7-8,10,23H,4-6,9,11H2,(H,22,25)
InChIKeyRNFVXDFKJTXYSF-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.41
Rot. Bonds3

About N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (PubChem CID 167831605) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
PubChem CID167831605
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2cccc(F)c12)N1CCc2nccnc2C1
InChIInChI=1S/C18H18FN5O/c19-13-2-1-3-15-17(13)12(10-23-15)4-6-22-18(25)24-9-5-14-16(11-24)21-8-7-20-14/h1-3,7-8,10,23H,4-6,9,11H2,(H,22,25)
InChIKeyRNFVXDFKJTXYSF-UHFFFAOYSA-N
XLogP2.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167750936
4-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167808661
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
CID 167960853
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea
CID 167820299
(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 124852502
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590
N-[2-(4-bromo-1H-indol-3-yl)ethyl]-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
CID 167928756
2-[1-[2-(4,6-difluoro-1H-indol-3-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 167898106
1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
CID 167970566
(2S)-2-amino-3-(4-(18F)fluoro-1H-indol-3-yl)propanoic acid
CID 177451224

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The IUPAC name of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (CID 167831605) is N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is O=C(NCCc1c[nH]c2cccc(F)c12)N1CCc2nccnc2C1.
What is the InChIKey of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The InChIKey is RNFVXDFKJTXYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-13-2-1-3-15-17(13)12(10-23-15)4-6-22-18(25)24-9-5-14-16(11-24)21-8-7-20-14/h1-3,7-8,10,23H,4-6,9,11H2,(H,22,25).
What are the key properties of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is sourced from PubChem (CID 167831605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).