N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H22N4O3 — CID 58522216

IUPACN-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](CC(C)=O)CC4)nc12
InChIInChI=1S/C21H22N4O3/c1-3-22-21(27)17-10-23-20-19(17)25-18(11-24-20)28-15-7-6-13-4-5-14(8-12(2)26)16(13)9-15/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,22,27)(H,23,24)/t14-/m0/s1
InChIKeyLQDFKMFODAFLOF-AWEZNQCLSA-N
MW378.43 g/mol
LogP3.51
Rot. Bonds6

About N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522216) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522216
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](CC(C)=O)CC4)nc12
InChIInChI=1S/C21H22N4O3/c1-3-22-21(27)17-10-23-20-19(17)25-18(11-24-20)28-15-7-6-13-4-5-14(8-12(2)26)16(13)9-15/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,22,27)(H,23,24)/t14-/m0/s1
InChIKeyLQDFKMFODAFLOF-AWEZNQCLSA-N
XLogP3.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-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

2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 67008828
N-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10154537
4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
CID 25010703
N-(6-(pyrimidin-5-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
CID 44250360
1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 46208210
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one
CID 46208470
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673763
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-cyclopropyl-ethyl)-amide
CID 54674056
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 54674369
N-(4-ethoxy-3-pyridinyl)-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766969
2-[[(3S)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522124
2-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522216) is N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](CC(C)=O)CC4)nc12.
What is the InChIKey of N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LQDFKMFODAFLOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-22-21(27)17-10-23-20-19(17)25-18(11-24-20)28-15-7-6-13-4-5-14(8-12(2)26)16(13)9-15/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,22,27)(H,23,24)/t14-/m0/s1.
What are the key properties of N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).