4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

C21H22N4O2 — CID 142296514

IUPAC4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)nc2N1C1CC1
InChIInChI=1S/C21H22N4O2/c1-13-20(26)23(2)18-10-9-16(22-19(18)25(13)15-7-8-15)21(27)24-12-11-14-5-3-4-6-17(14)24/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyJQXBXHQMQGQGQT-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.62
Rot. Bonds2

About 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 142296514) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
PubChem CID142296514
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)nc2N1C1CC1
InChIInChI=1S/C21H22N4O2/c1-13-20(26)23(2)18-10-9-16(22-19(18)25(13)15-7-8-15)21(27)24-12-11-14-5-3-4-6-17(14)24/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyJQXBXHQMQGQGQT-UHFFFAOYSA-N
XLogP2.62
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one with MolForge

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Related Compounds

Delavuridine
CID 72346
1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
CID 462952
[4-[cyclopropyl-[3-(isopropylamino)-2-pyridyl]amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 462956
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232
8-[butyl(ethyl)amino]-4-(4-acetyl-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 24768343
2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093400
2-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093402
[4-[[3-(ethylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468314
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (CID 142296514) is 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is CC1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)nc2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is JQXBXHQMQGQGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-20(26)23(2)18-10-9-16(22-19(18)25(13)15-7-8-15)21(27)24-12-11-14-5-3-4-6-17(14)24/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2,3-dihydroindole-1-carbonyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 142296514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).