[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate

C24H32N6O4 — CID 24936934

IUPAC[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate
SMILESCc1cn(-c2cnc(C(N)=O)c(NC3CCC(OC(=O)CN)CC3)n2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N6O4/c1-13-12-30(16-8-24(2,3)9-17(31)20(13)16)18-11-27-21(22(26)33)23(29-18)28-14-4-6-15(7-5-14)34-19(32)10-25/h11-12,14-15H,4-10,25H2,1-3H3,(H2,26,33)(H,28,29)
InChIKeyPBZNGGQQQXRPIB-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.05
Rot. Bonds6

About [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate

[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate (PubChem CID 24936934) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate.

Molecular Properties

Compound Name[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate
PubChem CID24936934
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate
SMILESCc1cn(-c2cnc(C(N)=O)c(NC3CCC(OC(=O)CN)CC3)n2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N6O4/c1-13-12-30(16-8-24(2,3)9-17(31)20(13)16)18-11-27-21(22(26)33)23(29-18)28-14-4-6-15(7-5-14)34-19(32)10-25/h11-12,14-15H,4-10,25H2,1-3H3,(H2,26,33)(H,28,29)
InChIKeyPBZNGGQQQXRPIB-UHFFFAOYSA-N
XLogP2.05
TPSA155.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate?
The IUPAC name of [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate (CID 24936934) is [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate.
What is the SMILES notation for [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate?
The canonical SMILES for [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate is Cc1cn(-c2cnc(C(N)=O)c(NC3CCC(OC(=O)CN)CC3)n2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate?
The InChIKey is PBZNGGQQQXRPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-13-12-30(16-8-24(2,3)9-17(31)20(13)16)18-11-27-21(22(26)33)23(29-18)28-14-4-6-15(7-5-14)34-19(32)10-25/h11-12,14-15H,4-10,25H2,1-3H3,(H2,26,33)(H,28,29).
What are the key properties of [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate?
[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate has a molecular weight of 468.56 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate is sourced from PubChem (CID 24936934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).