5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one

C24H22N4O3 — CID 158964988

IUPAC5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one
SMILESCCOc1ccc(Nc2nc(-c3ccc4c(c3)CC(=O)C4)cn3ccnc23)cc1OC
InChIInChI=1S/C24H22N4O3/c1-3-31-21-7-6-18(13-22(21)30-2)26-23-24-25-8-9-28(24)14-20(27-23)16-5-4-15-11-19(29)12-17(15)10-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)
InChIKeyJNBZDJYPFLOAKS-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.21
Rot. Bonds6

About 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one

5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one (PubChem CID 158964988) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one
PubChem CID158964988
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one
SMILESCCOc1ccc(Nc2nc(-c3ccc4c(c3)CC(=O)C4)cn3ccnc23)cc1OC
InChIInChI=1S/C24H22N4O3/c1-3-31-21-7-6-18(13-22(21)30-2)26-23-24-25-8-9-28(24)14-20(27-23)16-5-4-15-11-19(29)12-17(15)10-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)
InChIKeyJNBZDJYPFLOAKS-UHFFFAOYSA-N
XLogP4.21
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473185
6-(1,3-benzothiazol-6-yl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473329
7-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-quinolin-2-one
CID 59473373
6-(2,3-dihydro-1H-indol-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473507
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(2-methoxyethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 147310764
N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473196
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473562
6-(3H-isoindol-5-yl)-N-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 152848131
3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839
N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine
CID 134327262
3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol
CID 59473157
1-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-pyridin-3-ylpropan-1-one
CID 159019087

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one?
The IUPAC name of 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one (CID 158964988) is 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one is CCOc1ccc(Nc2nc(-c3ccc4c(c3)CC(=O)C4)cn3ccnc23)cc1OC.
What is the InChIKey of 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one?
The InChIKey is JNBZDJYPFLOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-3-31-21-7-6-18(13-22(21)30-2)26-23-24-25-8-9-28(24)14-20(27-23)16-5-4-15-11-19(29)12-17(15)10-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27).
What are the key properties of 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one?
5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one has a molecular weight of 414.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one is sourced from PubChem (CID 158964988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).