1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone

C20H19Cl2N7O2 — CID 170610207

IUPAC1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone
SMILESCn1ncnc1COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H19Cl2N7O2/c1-27-16(23-11-26-27)9-31-10-17(30)28-4-5-29-15(8-28)18(12-6-24-25-7-12)13-2-3-14(21)19(22)20(13)29/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,24,25)
InChIKeyGXRVUONNZXZSGQ-UHFFFAOYSA-N
MW460.33 g/mol
LogP3.03
Rot. Bonds5

About 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone

1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone (PubChem CID 170610207) has the molecular formula C20H19Cl2N7O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone
PubChem CID170610207
Molecular FormulaC20H19Cl2N7O2
Molecular Weight460.33 g/mol
Exact Mass459.10
IUPAC Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone
SMILESCn1ncnc1COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H19Cl2N7O2/c1-27-16(23-11-26-27)9-31-10-17(30)28-4-5-29-15(8-28)18(12-6-24-25-7-12)13-2-3-14(21)19(22)20(13)29/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,24,25)
InChIKeyGXRVUONNZXZSGQ-UHFFFAOYSA-N
XLogP3.03
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone with MolForge

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Related Compounds

US20230391786, Example 180
CID 170426516
US20230391786, Example 12
CID 170426549
US20230391786, Example 328
CID 170426577
US20230391786, Example 311
CID 170426708
US20230391786, Example 47
CID 170426811
US20230391786, Example 182
CID 170426891
US20230391786, Example 111
CID 170427013
US20230391786, Example 334
CID 170427053
US20230391786, Example 108
CID 170427080
US20230391786, Example 304
CID 170427098
US20230391786, Example 53
CID 170427189
US20230391786, Example 103
CID 170427222

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone?
The IUPAC name of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone (CID 170610207) is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone.
What is the SMILES notation for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone?
The canonical SMILES for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone is Cn1ncnc1COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone?
The InChIKey is GXRVUONNZXZSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O2/c1-27-16(23-11-26-27)9-31-10-17(30)28-4-5-29-15(8-28)18(12-6-24-25-7-12)13-2-3-14(21)19(22)20(13)29/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,24,25).
What are the key properties of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone?
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone has a molecular weight of 460.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]ethanone is sourced from PubChem (CID 170610207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).