3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol

C24H29N5O2 — CID 130383095

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol
SMILESCCN1CCN(c2ccc3c(c2)OC(O)C(c2cn4cc(C)nc(C)c4n2)=C3)C[C@@H]1C
InChIInChI=1S/C24H29N5O2/c1-5-27-8-9-28(13-16(27)3)19-7-6-18-10-20(24(30)31-22(18)11-19)21-14-29-12-15(2)25-17(4)23(29)26-21/h6-7,10-12,14,16,24,30H,5,8-9,13H2,1-4H3/t16-,24?/m0/s1
InChIKeyNJUXNSJBGDDRSQ-FXIRQEPWSA-N
MW419.53 g/mol
LogP3.13
Rot. Bonds3

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol (PubChem CID 130383095) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol
PubChem CID130383095
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol
SMILESCCN1CCN(c2ccc3c(c2)OC(O)C(c2cn4cc(C)nc(C)c4n2)=C3)C[C@@H]1C
InChIInChI=1S/C24H29N5O2/c1-5-27-8-9-28(13-16(27)3)19-7-6-18-10-20(24(30)31-22(18)11-19)21-14-29-12-15(2)25-17(4)23(29)26-21/h6-7,10-12,14,16,24,30H,5,8-9,13H2,1-4H3/t16-,24?/m0/s1
InChIKeyNJUXNSJBGDDRSQ-FXIRQEPWSA-N
XLogP3.13
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol (CID 130383095) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol is CCN1CCN(c2ccc3c(c2)OC(O)C(c2cn4cc(C)nc(C)c4n2)=C3)C[C@@H]1C.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol?
The InChIKey is NJUXNSJBGDDRSQ-FXIRQEPWSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-5-27-8-9-28(13-16(27)3)19-7-6-18-10-20(24(30)31-22(18)11-19)21-14-29-12-15(2)25-17(4)23(29)26-21/h6-7,10-12,14,16,24,30H,5,8-9,13H2,1-4H3/t16-,24?/m0/s1.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol has a molecular weight of 419.53 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 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-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol is sourced from PubChem (CID 130383095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).