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

C26H25ClFN5O2 — CID 118073146

IUPAC2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CC(C)N(C(C)c2cn(C4CC4)c4cc(F)c(Cl)cc24)C3=O)cn1
InChIInChI=1S/C26H25ClFN5O2/c1-14-10-30(13-29-14)22-6-7-23-26(35)33(15(2)11-32(23)25(22)34)16(3)19-12-31(17-4-5-17)24-9-21(28)20(27)8-18(19)24/h6-10,12-13,15-17H,4-5,11H2,1-3H3
InChIKeySQLHJRNAPMNCAT-UHFFFAOYSA-N
MW493.97 g/mol
LogP5.03
Rot. Bonds4

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

2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118073146) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118073146
Molecular FormulaC26H25ClFN5O2
Molecular Weight493.97 g/mol
Exact Mass493.17
IUPAC Name2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CC(C)N(C(C)c2cn(C4CC4)c4cc(F)c(Cl)cc24)C3=O)cn1
InChIInChI=1S/C26H25ClFN5O2/c1-14-10-30(13-29-14)22-6-7-23-26(35)33(15(2)11-32(23)25(22)34)16(3)19-12-31(17-4-5-17)24-9-21(28)20(27)8-18(19)24/h6-10,12-13,15-17H,4-5,11H2,1-3H3
InChIKeySQLHJRNAPMNCAT-UHFFFAOYSA-N
XLogP5.03
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.97
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Related Compounds

(3S)-2-[(1R)-1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118086312
3-methyl-7-(4-methylimidazol-1-yl)-2-[1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073032
3-methyl-7-(4-methylimidazol-1-yl)-2-[1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118564177
(3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 146361138
(3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118086179
3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-methyl-1-(2,2,2-trifluoroethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118084314
(3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073139
(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90286694
ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 144669726
2-[(6-bromo-2-methyl-3,4-dihydrochromen-2-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118555652
7-(4-methylimidazol-1-yl)-2-(1,1,1-trifluorobutan-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 162565850
2-[(2S)-1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 66551577

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118073146) is 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CC(C)N(C(C)c2cn(C4CC4)c4cc(F)c(Cl)cc24)C3=O)cn1.
What is the InChIKey of 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is SQLHJRNAPMNCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c1-14-10-30(13-29-14)22-6-7-23-26(35)33(15(2)11-32(23)25(22)34)16(3)19-12-31(17-4-5-17)24-9-21(28)20(27)8-18(19)24/h6-10,12-13,15-17H,4-5,11H2,1-3H3.
What are the key properties of 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 493.97 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118073146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).