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

C22H20ClN5O3 — CID 118726367

IUPAC2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCOn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2ccc(Cl)cc21
InChIInChI=1S/C22H20ClN5O3/c1-14-10-26(13-24-14)18-5-6-19-21(29)25(7-8-27(19)22(18)30)11-15-12-28(31-2)20-9-16(23)3-4-17(15)20/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyOGYMPWVOEIVPSC-UHFFFAOYSA-N
MW437.89 g/mol
LogP2.66
Rot. Bonds4

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

2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118726367) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is 2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118726367
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC Name2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCOn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2ccc(Cl)cc21
InChIInChI=1S/C22H20ClN5O3/c1-14-10-26(13-24-14)18-5-6-19-21(29)25(7-8-27(19)22(18)30)11-15-12-28(31-2)20-9-16(23)3-4-17(15)20/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyOGYMPWVOEIVPSC-UHFFFAOYSA-N
XLogP2.66
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Chlorophenyl)-N,N-dipropyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390227
2-(4-Chlorophenyl)-N,N-dibutyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390306
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
CID 14390388
1-(3-Chloro-phenyl)-4-{3-[6-(4-chloro-phenyl)-pyridin-3-ylmethyl]-3H-imidazol-4-ylmethyl}-piperazin-2-one
CID 44458867
n-(2-{[2-(7-Chloro-quinolin-4-ylamino)ethyl]methylamino}ethyl)-3-(1h-imidazol-4-yl)acrylamide
CID 66989010
2-[[6-Fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 89908079
CID 92042908
CID 92042908
2-[[7-Fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118003183
CID 118003318
CID 118003318
2-[(3-chloro-1H-indol-2-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118726365
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
2-[(5-Chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118726368

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118726367) is 2-[(6-chloro-1-methoxyindol-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-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is COn1cc(CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2ccc(Cl)cc21.
What is the InChIKey of 2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is OGYMPWVOEIVPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-14-10-26(13-24-14)18-5-6-19-21(29)25(7-8-27(19)22(18)30)11-15-12-28(31-2)20-9-16(23)3-4-17(15)20/h3-6,9-10,12-13H,7-8,11H2,1-2H3.
What are the key properties of 2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 437.89 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1-methoxyindol-3-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118726367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).