2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

C23H24N4O3 — CID 135649774

IUPAC2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O
InChIInChI=1S/C23H24N4O3/c1-14(2)15-5-7-17(8-6-15)25-23-21(26-20-13-24-9-10-27(20)23)16-11-18(29-3)22(28)19(12-16)30-4/h5-14,25,28H,1-4H3
InChIKeyNERULCKTMQIECW-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.99
Rot. Bonds6

About 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135649774) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135649774
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O
InChIInChI=1S/C23H24N4O3/c1-14(2)15-5-7-17(8-6-15)25-23-21(26-20-13-24-9-10-27(20)23)16-11-18(29-3)22(28)19(12-16)30-4/h5-14,25,28H,1-4H3
InChIKeyNERULCKTMQIECW-UHFFFAOYSA-N
XLogP4.99
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
CID 136598334
4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
CID 135649800
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
7-methyl-N-(4-propan-2-ylphenyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 4625140
3-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol;N-(3-chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 160833411
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 53208182
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674311
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 16675313
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3593036

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135649774) is 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is COc1cc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is NERULCKTMQIECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(2)15-5-7-17(8-6-15)25-23-21(26-20-13-24-9-10-27(20)23)16-11-18(29-3)22(28)19(12-16)30-4/h5-14,25,28H,1-4H3.
What are the key properties of 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 404.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135649774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).