2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C21H17Cl2N5O2 — CID 118726366

IUPAC2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2[nH]c4ccc(Cl)cc4c2Cl)C3=O)cn1
InChIInChI=1S/C21H17Cl2N5O2/c1-12-9-27(11-24-12)17-4-5-18-20(29)26(6-7-28(18)21(17)30)10-16-19(23)14-8-13(22)2-3-15(14)25-16/h2-5,8-9,11,25H,6-7,10H2,1H3
InChIKeyPOIMVAXYUDZQEV-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.79
Rot. Bonds3

About 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118726366) has the molecular formula C21H17Cl2N5O2 and a molecular weight of 442.31 g/mol. Its IUPAC name is 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118726366
Molecular FormulaC21H17Cl2N5O2
Molecular Weight442.31 g/mol
Exact Mass441.08
IUPAC Name2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2[nH]c4ccc(Cl)cc4c2Cl)C3=O)cn1
InChIInChI=1S/C21H17Cl2N5O2/c1-12-9-27(11-24-12)17-4-5-18-20(29)26(6-7-28(18)21(17)30)10-16-19(23)14-8-13(22)2-3-15(14)25-16/h2-5,8-9,11,25H,6-7,10H2,1H3
InChIKeyPOIMVAXYUDZQEV-UHFFFAOYSA-N
XLogP3.79
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118726366) is 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(Cc2[nH]c4ccc(Cl)cc4c2Cl)C3=O)cn1.
What is the InChIKey of 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is POIMVAXYUDZQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2/c1-12-9-27(11-24-12)17-4-5-18-20(29)26(6-7-28(18)21(17)30)10-16-19(23)14-8-13(22)2-3-15(14)25-16/h2-5,8-9,11,25H,6-7,10H2,1H3.
What are the key properties of 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 442.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118726366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).