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

C20H20Cl2N4O3 — CID 170427053

IUPAC[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone
SMILESCOC1(C(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)CCOC1
InChIInChI=1S/C20H20Cl2N4O3/c1-28-20(4-7-29-11-20)19(27)25-5-6-26-15(10-25)16(12-8-23-24-9-12)13-2-3-14(21)17(22)18(13)26/h2-3,8-9H,4-7,10-11H2,1H3,(H,23,24)
InChIKeyCJAYOKDMBLEXPO-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.49
Rot. Bonds3

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

[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone (PubChem CID 170427053) has the molecular formula C20H20Cl2N4O3 and a molecular weight of 435.31 g/mol. Its IUPAC name is [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone.

Molecular Properties

Compound Name[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone
PubChem CID170427053
Molecular FormulaC20H20Cl2N4O3
Molecular Weight435.31 g/mol
Exact Mass434.09
IUPAC Name[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone
SMILESCOC1(C(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)CCOC1
InChIInChI=1S/C20H20Cl2N4O3/c1-28-20(4-7-29-11-20)19(27)25-5-6-26-15(10-25)16(12-8-23-24-9-12)13-2-3-14(21)17(22)18(13)26/h2-3,8-9H,4-7,10-11H2,1H3,(H,23,24)
InChIKeyCJAYOKDMBLEXPO-UHFFFAOYSA-N
XLogP3.49
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

US20230391786, Example 273
CID 170426661
US20230391786, Example 20
CID 170426488
US20230391786, Example 180
CID 170426516
US20230391786, Example 154
CID 170426540
US20230391786, Example 81
CID 170426632
US20230391786, Example 148
CID 170426654
US20230391786, Example 240
CID 170426694
US20230391786, Example 311
CID 170426708
US20230391786, Example 297
CID 170426718
US20230391786, Example 168
CID 170426805
US20230391786, Example 47
CID 170426811
US20230391786, Example 196
CID 170426846

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone?
The IUPAC name of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone (CID 170427053) is [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone.
What is the SMILES notation for [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone?
The canonical SMILES for [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone is COC1(C(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)CCOC1.
What is the InChIKey of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone?
The InChIKey is CJAYOKDMBLEXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3/c1-28-20(4-7-29-11-20)19(27)25-5-6-26-15(10-25)16(12-8-23-24-9-12)13-2-3-14(21)17(22)18(13)26/h2-3,8-9H,4-7,10-11H2,1H3,(H,23,24).
What are the key properties of [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone?
[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone has a molecular weight of 435.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(3-methoxyoxolan-3-yl)methanone is sourced from PubChem (CID 170427053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).