2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine

C21H19N5 — CID 141165893

IUPAC2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESNc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H19N5/c22-17-7-4-15(5-8-17)20-21(26-11-10-23-13-19(26)25-20)24-18-9-6-14-2-1-3-16(14)12-18/h4-13,24H,1-3,22H2
InChIKeyLSQHCBYCQPSTOI-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine

2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 141165893) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID141165893
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESNc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H19N5/c22-17-7-4-15(5-8-17)20-21(26-11-10-23-13-19(26)25-20)24-18-9-6-14-2-1-3-16(14)12-18/h4-13,24H,1-3,22H2
InChIKeyLSQHCBYCQPSTOI-UHFFFAOYSA-N
XLogP4.21
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 89350559
2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane
CID 143150792
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 135510576
N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
CID 157197195
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzamide
CID 53207762
[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 53207752
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207883
[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 89172920

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine (CID 141165893) is 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine is Nc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is LSQHCBYCQPSTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c22-17-7-4-15(5-8-17)20-21(26-11-10-23-13-19(26)25-20)24-18-9-6-14-2-1-3-16(14)12-18/h4-13,24H,1-3,22H2.
What are the key properties of 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?
2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 341.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 141165893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).