1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

C26H30N6O2 — CID 50781229

IUPAC1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NCCc3c[nH]c4ccc(C)cc34)CC2)nc2cccnc21
InChIInChI=1S/C26H30N6O2/c1-3-32-23-22(5-4-11-27-23)30-24(26(32)34)31-13-9-18(10-14-31)25(33)28-12-8-19-16-29-21-7-6-17(2)15-20(19)21/h4-7,11,15-16,18,29H,3,8-10,12-14H2,1-2H3,(H,28,33)
InChIKeyNCDHTJUVQTWAJK-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 50781229) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID50781229
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCn1c(=O)c(N2CCC(C(=O)NCCc3c[nH]c4ccc(C)cc34)CC2)nc2cccnc21
InChIInChI=1S/C26H30N6O2/c1-3-32-23-22(5-4-11-27-23)30-24(26(32)34)31-13-9-18(10-14-31)25(33)28-12-8-19-16-29-21-7-6-17(2)15-20(19)21/h4-7,11,15-16,18,29H,3,8-10,12-14H2,1-2H3,(H,28,33)
InChIKeyNCDHTJUVQTWAJK-UHFFFAOYSA-N
XLogP3.18
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide 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

1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 50781195
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781586
N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 46324860
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952057
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50781580
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781682
N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781388
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781383
N-[2-(2-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 53043840
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081927

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide (CID 50781229) is 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide is CCn1c(=O)c(N2CCC(C(=O)NCCc3c[nH]c4ccc(C)cc34)CC2)nc2cccnc21.
What is the InChIKey of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is NCDHTJUVQTWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-3-32-23-22(5-4-11-27-23)30-24(26(32)34)31-13-9-18(10-14-31)25(33)28-12-8-19-16-29-21-7-6-17(2)15-20(19)21/h4-7,11,15-16,18,29H,3,8-10,12-14H2,1-2H3,(H,28,33).
What are the key properties of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50781229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).