1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone

C20H16Cl2N6O — CID 170427271

IUPAC1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H16Cl2N6O/c21-15-2-1-14-18(12-8-25-26-9-12)16-11-27(5-6-28(16)20(14)19(15)22)17(29)7-13-10-23-3-4-24-13/h1-4,8-10H,5-7,11H2,(H,25,26)
InChIKeyGMRLSLIZSLLHPJ-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.71
Rot. Bonds3

About 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone

1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone (PubChem CID 170427271) has the molecular formula C20H16Cl2N6O and a molecular weight of 427.30 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-pyrazin-2-ylethanone.

Molecular Properties

Compound Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone
PubChem CID170427271
Molecular FormulaC20H16Cl2N6O
Molecular Weight427.30 g/mol
Exact Mass426.08
IUPAC Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H16Cl2N6O/c21-15-2-1-14-18(12-8-25-26-9-12)16-11-27(5-6-28(16)20(14)19(15)22)17(29)7-13-10-23-3-4-24-13/h1-4,8-10H,5-7,11H2,(H,25,26)
InChIKeyGMRLSLIZSLLHPJ-UHFFFAOYSA-N
XLogP3.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
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US10618897, Example 31
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US20230391786, Example 276
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US20230391786, Example 256
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US20230391786, Example 275
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US20230391786, Example 263
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N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2-piperazin-1-ylacetamide
CID 166626547
2-Amino-1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]ethanone
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2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide
CID 166627819
1-[6,7-Dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-(methylamino)ethanone
CID 166631177

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-pyrazin-2-ylethanone?
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-pyrazin-2-ylethanone (CID 170427271) is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone.
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-pyrazin-2-ylethanone?
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-pyrazin-2-ylethanone is O=C(Cc1cnccn1)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-pyrazin-2-ylethanone?
The InChIKey is GMRLSLIZSLLHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O/c21-15-2-1-14-18(12-8-25-26-9-12)16-11-27(5-6-28(16)20(14)19(15)22)17(29)7-13-10-23-3-4-24-13/h1-4,8-10H,5-7,11H2,(H,25,26).
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-pyrazin-2-ylethanone?
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-pyrazin-2-ylethanone has a molecular weight of 427.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-pyrazin-2-ylethanone is sourced from PubChem (CID 170427271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).