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

C23H22ClN5O2 — CID 118726369

IUPAC2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H22ClN5O2/c1-3-26-12-16(18-10-17(24)4-5-19(18)26)13-27-8-9-29-21(22(27)30)7-6-20(23(29)31)28-11-15(2)25-14-28/h4-7,10-12,14H,3,8-9,13H2,1-2H3
InChIKeyZTUMLDSAUNEAPB-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.63
Rot. Bonds4

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

2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118726369) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118726369
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H22ClN5O2/c1-3-26-12-16(18-10-17(24)4-5-19(18)26)13-27-8-9-29-21(22(27)30)7-6-20(23(29)31)28-11-15(2)25-14-28/h4-7,10-12,14H,3,8-9,13H2,1-2H3
InChIKeyZTUMLDSAUNEAPB-UHFFFAOYSA-N
XLogP3.63
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118726369) is 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is CCn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is ZTUMLDSAUNEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-3-26-12-16(18-10-17(24)4-5-19(18)26)13-27-8-9-29-21(22(27)30)7-6-20(23(29)31)28-11-15(2)25-14-28/h4-7,10-12,14H,3,8-9,13H2,1-2H3.
What are the key properties of 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 435.92 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-ethylindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118726369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).