1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione

C20H19ClN6O3 — CID 170610179

IUPAC1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(CC(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)cc43)C2)C1=O
InChIInChI=1S/C20H19ClN6O3/c1-24-17(28)10-26(20(24)30)11-18(29)25-4-5-27-15-6-13(21)2-3-14(15)19(16(27)9-25)12-7-22-23-8-12/h2-3,6-8H,4-5,9-11H2,1H3,(H,22,23)
InChIKeyUUXYOEHBWFDKNJ-UHFFFAOYSA-N
MW426.86 g/mol
LogP1.92
Rot. Bonds3

About 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione

1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione (PubChem CID 170610179) has the molecular formula C20H19ClN6O3 and a molecular weight of 426.86 g/mol. Its IUPAC name is 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione
PubChem CID170610179
Molecular FormulaC20H19ClN6O3
Molecular Weight426.86 g/mol
Exact Mass426.12
IUPAC Name1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(CC(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)cc43)C2)C1=O
InChIInChI=1S/C20H19ClN6O3/c1-24-17(28)10-26(20(24)30)11-18(29)25-4-5-27-15-6-13(21)2-3-14(15)19(16(27)9-25)12-7-22-23-8-12/h2-3,6-8H,4-5,9-11H2,1H3,(H,22,23)
InChIKeyUUXYOEHBWFDKNJ-UHFFFAOYSA-N
XLogP1.92
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione (CID 170610179) is 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(CC(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)cc43)C2)C1=O.
What is the InChIKey of 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is UUXYOEHBWFDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O3/c1-24-17(28)10-26(20(24)30)11-18(29)25-4-5-27-15-6-13(21)2-3-14(15)19(16(27)9-25)12-7-22-23-8-12/h2-3,6-8H,4-5,9-11H2,1H3,(H,22,23).
What are the key properties of 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione?
1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 426.86 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-chloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 170610179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).