3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one

C44H42N8O4 — CID 159503103

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(C5=CCNCC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCNCC5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C22H22N4O2.C22H20N4O2/c2*1-13-11-26-12-19(25-21(26)14(2)24-13)20-10-17-4-3-16(9-18(17)22(27)28-20)15-5-7-23-8-6-15/h3-4,9-12,15,23H,5-8H2,1-2H3;3-5,9-12,23H,6-8H2,1-2H3
InChIKeyLZQHFOWHJILKIT-UHFFFAOYSA-N
MW746.87 g/mol
LogP7.08
Rot. Bonds4

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one (PubChem CID 159503103) has the molecular formula C44H42N8O4 and a molecular weight of 746.87 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one
PubChem CID159503103
Molecular FormulaC44H42N8O4
Molecular Weight746.87 g/mol
Exact Mass746.33
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(C5=CCNCC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCNCC5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C22H22N4O2.C22H20N4O2/c2*1-13-11-26-12-19(25-21(26)14(2)24-13)20-10-17-4-3-16(9-18(17)22(27)28-20)15-5-7-23-8-6-15/h3-4,9-12,15,23H,5-8H2,1-2H3;3-5,9-12,23H,6-8H2,1-2H3
InChIKeyLZQHFOWHJILKIT-UHFFFAOYSA-N
XLogP7.08
TPSA144.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one with MolForge

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Related Compounds

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
CID 71679779
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 71679454
3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147845
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one
CID 123277049
3-acetyl-7-bromoisochromen-1-one;7-bromo-3-(2-bromoacetyl)isochromen-1-one;7-bromo-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-bromo-3-(1-hydroxyethyl)isochromen-1-one;5-bromo-2-iodobenzoic acid;tert-butyl 4-[3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-1-oxoisochromen-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;but-3-yn-2-ol;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one;3,5-dimethylpyrazin-2-amine;hydrobromide
CID 159858438
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one
CID 157477866
7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one
CID 158790017
4-(4-cyclobutylphenyl)-1,2,3,6-tetrahydropyridine
CID 116506684
2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627485
2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
CID 168979307
8-fluoro-2-methyl-N-(6-piperidin-4-yl-1H-indazol-3-yl)imidazo[1,2-a]pyridin-6-amine
CID 176566276
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
CID 146585455

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one (CID 159503103) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one is Cc1cn2cc(-c3cc4ccc(C5=CCNCC5)cc4c(=O)o3)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(C5CCNCC5)cc4c(=O)o3)nc2c(C)n1.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one?
The InChIKey is LZQHFOWHJILKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C22H20N4O2/c2*1-13-11-26-12-19(25-21(26)14(2)24-13)20-10-17-4-3-16(9-18(17)22(27)28-20)15-5-7-23-8-6-15/h3-4,9-12,15,23H,5-8H2,1-2H3;3-5,9-12,23H,6-8H2,1-2H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one has a molecular weight of 746.87 g/mol, XLogP of 7.08, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one is sourced from PubChem (CID 159503103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).