3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one

C26H31N5O2 — CID 123341802

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
SMILESCCN1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)CC1C(C)C
InChIInChI=1S/C26H31N5O2/c1-6-29-9-10-30(15-23(29)16(2)3)20-8-7-19-11-21(26(32)33-24(19)12-20)22-14-31-13-17(4)27-18(5)25(31)28-22/h7-8,11-14,16,23H,6,9-10,15H2,1-5H3
InChIKeyOWOAVSPGNKJEKY-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.29
Rot. Bonds4

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one (PubChem CID 123341802) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
PubChem CID123341802
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
SMILESCCN1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)CC1C(C)C
InChIInChI=1S/C26H31N5O2/c1-6-29-9-10-30(15-23(29)16(2)3)20-8-7-19-11-21(26(32)33-24(19)12-20)22-14-31-13-17(4)27-18(5)25(31)28-22/h7-8,11-14,16,23H,6,9-10,15H2,1-5H3
InChIKeyOWOAVSPGNKJEKY-UHFFFAOYSA-N
XLogP4.29
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(3S)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 139460014
7-[3-(aminomethyl)pyrrolidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123601059
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)chromen-2-one
CID 123619870
7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 170703462
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]chromen-2-one
CID 123866673
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
CID 123602436
7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one
CID 159783674
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[methyl(pyrrolidin-3-yl)amino]chromen-2-one
CID 123277049
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123210784
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
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol
CID 130383095

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one (CID 123341802) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one is CCN1CCN(c2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)CC1C(C)C.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one?
The InChIKey is OWOAVSPGNKJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-6-29-9-10-30(15-23(29)16(2)3)20-8-7-19-11-21(26(32)33-24(19)12-20)22-14-31-13-17(4)27-18(5)25(31)28-22/h7-8,11-14,16,23H,6,9-10,15H2,1-5H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one has a molecular weight of 445.57 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 123341802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).