2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole

C19H18Cl2N6O2 — CID 170426811

IUPAC2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(CN2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)o1
InChIInChI=1S/C19H18Cl2N6O2/c1-28-10-16-25-24-15(29-16)9-26-4-5-27-14(8-26)17(11-6-22-23-7-11)12-2-3-13(20)18(21)19(12)27/h2-3,6-7H,4-5,8-10H2,1H3,(H,22,23)
InChIKeyMYFKSALZFWZILL-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.88
Rot. Bonds5

About 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole

2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole (PubChem CID 170426811) has the molecular formula C19H18Cl2N6O2 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole
PubChem CID170426811
Molecular FormulaC19H18Cl2N6O2
Molecular Weight433.30 g/mol
Exact Mass432.09
IUPAC Name2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(CN2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)o1
InChIInChI=1S/C19H18Cl2N6O2/c1-28-10-16-25-24-15(29-16)9-26-4-5-27-14(8-26)17(11-6-22-23-7-11)12-2-3-13(20)18(21)19(12)27/h2-3,6-7H,4-5,8-10H2,1H3,(H,22,23)
InChIKeyMYFKSALZFWZILL-UHFFFAOYSA-N
XLogP3.88
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

US20230391786, Example 274
CID 170426644
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 8
CID 170426767
US20230391786, Example 196
CID 170426846
US20230391786, Example 182
CID 170426891

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole (CID 170426811) is 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole is COCc1nnc(CN2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)o1.
What is the InChIKey of 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The InChIKey is MYFKSALZFWZILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O2/c1-28-10-16-25-24-15(29-16)9-26-4-5-27-14(8-26)17(11-6-22-23-7-11)12-2-3-13(20)18(21)19(12)27/h2-3,6-7H,4-5,8-10H2,1H3,(H,22,23).
What are the key properties of 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole?
2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole has a molecular weight of 433.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]-5-(methoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 170426811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).