5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid

C17H18N4O3 — CID 122058030

IUPAC5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H18N4O3/c1-10-7-12-5-3-4-6-14(12)21(10)16(22)11(2)20-15-9-18-13(8-19-15)17(23)24/h3-6,8-11H,7H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyRWCHEROHRNAPIG-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.95
Rot. Bonds4

About 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid

5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122058030) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122058030
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H18N4O3/c1-10-7-12-5-3-4-6-14(12)21(10)16(22)11(2)20-15-9-18-13(8-19-15)17(23)24/h3-6,8-11H,7H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyRWCHEROHRNAPIG-UHFFFAOYSA-N
XLogP1.95
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 95171946
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid (CID 122058030) is 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid is CC(Nc1cnc(C(=O)O)cn1)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is RWCHEROHRNAPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-7-12-5-3-4-6-14(12)21(10)16(22)11(2)20-15-9-18-13(8-19-15)17(23)24/h3-6,8-11H,7H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 326.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).