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

C24H23ClN4O3 — CID 118389944

IUPAC2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CC2=CC(C)(C)Oc4ccc(Cl)cc42)C3=O)cn1
InChIInChI=1S/C24H23ClN4O3/c1-15-12-28(14-26-15)19-5-6-20-22(30)27(8-9-29(20)23(19)31)13-16-11-24(2,3)32-21-7-4-17(25)10-18(16)21/h4-7,10-12,14H,8-9,13H2,1-3H3
InChIKeyGZTWUFUPZYFPHL-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.71
Rot. Bonds3

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

2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118389944) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118389944
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CC2=CC(C)(C)Oc4ccc(Cl)cc42)C3=O)cn1
InChIInChI=1S/C24H23ClN4O3/c1-15-12-28(14-26-15)19-5-6-20-22(30)27(8-9-29(20)23(19)31)13-16-11-24(2,3)32-21-7-4-17(25)10-18(16)21/h4-7,10-12,14H,8-9,13H2,1-3H3
InChIKeyGZTWUFUPZYFPHL-UHFFFAOYSA-N
XLogP3.71
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118389944) is 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(CC2=CC(C)(C)Oc4ccc(Cl)cc42)C3=O)cn1.
What is the InChIKey of 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is GZTWUFUPZYFPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-15-12-28(14-26-15)19-5-6-20-22(30)27(8-9-29(20)23(19)31)13-16-11-24(2,3)32-21-7-4-17(25)10-18(16)21/h4-7,10-12,14H,8-9,13H2,1-3H3.
What are the key properties of 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 450.93 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118389944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).