3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine

C26H27Cl2N3O — CID 22147224

IUPAC3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine
SMILESCCOC1Cc2ccccc2C1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1C1CC1
InChIInChI=1S/C26H27Cl2N3O/c1-3-21-24(19-12-11-17(27)14-20(19)28)30-23(15-9-10-15)26(29-21)31-25-18-8-6-5-7-16(18)13-22(25)32-4-2/h5-8,11-12,14-15,22,25H,3-4,9-10,13H2,1-2H3,(H,29,31)
InChIKeyCPZQZVXXULDILG-UHFFFAOYSA-N
MW468.43 g/mol
LogP7.00
Rot. Bonds7

About 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine

3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine (PubChem CID 22147224) has the molecular formula C26H27Cl2N3O and a molecular weight of 468.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine
PubChem CID22147224
Molecular FormulaC26H27Cl2N3O
Molecular Weight468.43 g/mol
Exact Mass467.15
IUPAC Name3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine
SMILESCCOC1Cc2ccccc2C1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1C1CC1
InChIInChI=1S/C26H27Cl2N3O/c1-3-21-24(19-12-11-17(27)14-20(19)28)30-23(15-9-10-15)26(29-21)31-25-18-8-6-5-7-16(18)13-22(25)32-4-2/h5-8,11-12,14-15,22,25H,3-4,9-10,13H2,1-2H3,(H,29,31)
InChIKeyCPZQZVXXULDILG-UHFFFAOYSA-N
XLogP7.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.43
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine?
The IUPAC name of 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine (CID 22147224) is 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine.
What is the SMILES notation for 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine?
The canonical SMILES for 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine is CCOC1Cc2ccccc2C1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine?
The InChIKey is CPZQZVXXULDILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O/c1-3-21-24(19-12-11-17(27)14-20(19)28)30-23(15-9-10-15)26(29-21)31-25-18-8-6-5-7-16(18)13-22(25)32-4-2/h5-8,11-12,14-15,22,25H,3-4,9-10,13H2,1-2H3,(H,29,31).
What are the key properties of 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine?
3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine has a molecular weight of 468.43 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine is sourced from PubChem (CID 22147224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).