5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

C22H22N4O — CID 109290489

IUPAC5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N2CCc3ccccc32)cn1
InChIInChI=1S/C22H22N4O/c1-15(2)17-8-4-5-9-18(17)25-22(27)19-13-24-21(14-23-19)26-12-11-16-7-3-6-10-20(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)
InChIKeyMKQINOGLNOJBLH-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.55
Rot. Bonds4

About 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109290489) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109290489
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N2CCc3ccccc32)cn1
InChIInChI=1S/C22H22N4O/c1-15(2)17-8-4-5-9-18(17)25-22(27)19-13-24-21(14-23-19)26-12-11-16-7-3-6-10-20(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)
InChIKeyMKQINOGLNOJBLH-UHFFFAOYSA-N
XLogP4.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290481
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109278953
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
N-cyclohexyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109274719
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277176
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280543
5-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280007
N-[2-(2,3-dihydroindol-1-yl)phenyl]pyrazine-2-carboxamide
CID 38748578
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109290660
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109290489) is 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cnc(N2CCc3ccccc32)cn1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is MKQINOGLNOJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15(2)17-8-4-5-9-18(17)25-22(27)19-13-24-21(14-23-19)26-12-11-16-7-3-6-10-20(16)26/h3-10,13-15H,11-12H2,1-2H3,(H,25,27).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).