1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol

C19H25Cl2N5O2 — CID 170610084

IUPAC1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol
SMILESCC.CC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(N)cc(Cl)c(Cl)c32)C1.CO
InChIInChI=1S/C16H15Cl2N5O.C2H6.CH4O/c1-8(24)22-2-3-23-12(7-22)13(9-5-20-21-6-9)14-11(19)4-10(17)15(18)16(14)23;2*1-2/h4-6H,2-3,7,19H2,1H3,(H,20,21);1-2H3;2H,1H3
InChIKeyHGWPODAURUAHPU-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.92
Rot. Bonds1

About 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol

1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol (PubChem CID 170610084) has the molecular formula C19H25Cl2N5O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol.

Molecular Properties

Compound Name1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol
PubChem CID170610084
Molecular FormulaC19H25Cl2N5O2
Molecular Weight426.35 g/mol
Exact Mass425.14
IUPAC Name1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol
SMILESCC.CC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(N)cc(Cl)c(Cl)c32)C1.CO
InChIInChI=1S/C16H15Cl2N5O.C2H6.CH4O/c1-8(24)22-2-3-23-12(7-22)13(9-5-20-21-6-9)14-11(19)4-10(17)15(18)16(14)23;2*1-2/h4-6H,2-3,7,19H2,1H3,(H,20,21);1-2H3;2H,1H3
InChIKeyHGWPODAURUAHPU-UHFFFAOYSA-N
XLogP3.92
TPSA100.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol with MolForge

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Related Compounds

N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide
CID 170427378
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride
CID 175969487
4-[6,7-dichloro-9-[(2,2-difluoroacetyl)amino]-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-N,N-dimethyl-4-oxobutanamide
CID 170427041
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 170427633
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201
N-[6,7-dichloro-2-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
CID 170426644
5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1-ethylpyrrolidin-2-one
CID 170427318
[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
CID 170427444
1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170609963
6,7-dichloro-10-(1H-pyrazol-4-yl)-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
CID 170426767
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170427637

Frequently Asked Questions

What is the IUPAC name of 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol?
The IUPAC name of 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol (CID 170610084) is 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol.
What is the SMILES notation for 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol?
The canonical SMILES for 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol is CC.CC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(N)cc(Cl)c(Cl)c32)C1.CO.
What is the InChIKey of 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol?
The InChIKey is HGWPODAURUAHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O.C2H6.CH4O/c1-8(24)22-2-3-23-12(7-22)13(9-5-20-21-6-9)14-11(19)4-10(17)15(18)16(14)23;2*1-2/h4-6H,2-3,7,19H2,1H3,(H,20,21);1-2H3;2H,1H3.
What are the key properties of 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol?
1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol has a molecular weight of 426.35 g/mol, XLogP of 3.92, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol is sourced from PubChem (CID 170610084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).