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

C26H27Cl2N3O — CID 58583423

IUPAC6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C26H27Cl2N3O/c1-3-21-26(31-24-18-8-6-5-7-16(18)13-22(24)32-4-2)30-23(15-9-10-15)25(29-21)19-12-11-17(27)14-20(19)28/h5-8,11-12,14-15,22,24H,3-4,9-10,13H2,1-2H3,(H,30,31)/t22-,24+/m0/s1
InChIKeyFSOJKYILDXTVGD-LADGPHEKSA-N
MW468.43 g/mol
LogP7.00
Rot. Bonds7

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

6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine (PubChem CID 58583423) has the molecular formula C26H27Cl2N3O and a molecular weight of 468.43 g/mol. Its IUPAC name is 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
PubChem CID58583423
Molecular FormulaC26H27Cl2N3O
Molecular Weight468.43 g/mol
Exact Mass467.15
IUPAC Name6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C26H27Cl2N3O/c1-3-21-26(31-24-18-8-6-5-7-16(18)13-22(24)32-4-2)30-23(15-9-10-15)25(29-21)19-12-11-17(27)14-20(19)28/h5-8,11-12,14-15,22,24H,3-4,9-10,13H2,1-2H3,(H,30,31)/t22-,24+/m0/s1
InChIKeyFSOJKYILDXTVGD-LADGPHEKSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
The IUPAC name of 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine (CID 58583423) is 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine.
What is the SMILES notation for 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
The canonical SMILES for 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine is CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1CC.
What is the InChIKey of 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
The InChIKey is FSOJKYILDXTVGD-LADGPHEKSA-N. The full InChI is InChI=1S/C26H27Cl2N3O/c1-3-21-26(31-24-18-8-6-5-7-16(18)13-22(24)32-4-2)30-23(15-9-10-15)25(29-21)19-12-11-17(27)14-20(19)28/h5-8,11-12,14-15,22,24H,3-4,9-10,13H2,1-2H3,(H,30,31)/t22-,24+/m0/s1.
What are the key properties of 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine?
6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-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 6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine is sourced from PubChem (CID 58583423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).