2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine

C22H22N6O — CID 89344743

IUPAC2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine
SMILESNc1ccc(-c2c(N)c3ccc(Oc4nccnc4N)cc3n2CC2CC2)cc1
InChIInChI=1S/C22H22N6O/c23-15-5-3-14(4-6-15)20-19(24)17-8-7-16(29-22-21(25)26-9-10-27-22)11-18(17)28(20)12-13-1-2-13/h3-11,13H,1-2,12,23-24H2,(H2,25,26)
InChIKeyCGROLOHVSFYDCP-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine

2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine (PubChem CID 89344743) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine
PubChem CID89344743
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine
SMILESNc1ccc(-c2c(N)c3ccc(Oc4nccnc4N)cc3n2CC2CC2)cc1
InChIInChI=1S/C22H22N6O/c23-15-5-3-14(4-6-15)20-19(24)17-8-7-16(29-22-21(25)26-9-10-27-22)11-18(17)28(20)12-13-1-2-13/h3-11,13H,1-2,12,23-24H2,(H2,25,26)
InChIKeyCGROLOHVSFYDCP-UHFFFAOYSA-N
XLogP4.05
TPSA118.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine?
The IUPAC name of 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine (CID 89344743) is 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine.
What is the SMILES notation for 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine?
The canonical SMILES for 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine is Nc1ccc(-c2c(N)c3ccc(Oc4nccnc4N)cc3n2CC2CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine?
The InChIKey is CGROLOHVSFYDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-15-5-3-14(4-6-15)20-19(24)17-8-7-16(29-22-21(25)26-9-10-27-22)11-18(17)28(20)12-13-1-2-13/h3-11,13H,1-2,12,23-24H2,(H2,25,26).
What are the key properties of 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine?
2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine has a molecular weight of 386.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-(3-aminopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-3-amine is sourced from PubChem (CID 89344743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).