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

C37H28Cl2N8O2 — CID 160833411

IUPAC3-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol;N-(3-chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1cccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)c1.Oc1cccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H15ClN4O.C18H13ClN4O/c1-25-16-7-2-4-13(10-16)18-19(22-15-6-3-5-14(20)11-15)24-9-8-21-12-17(24)23-18;19-13-4-2-5-14(10-13)21-18-17(12-3-1-6-15(24)9-12)22-16-11-20-7-8-23(16)18/h2-12,22H,1H3;1-11,21,24H
InChIKeySHCHGHODQQSHRY-UHFFFAOYSA-N
MW687.59 g/mol
LogP9.30
Rot. Bonds7

About 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

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 (PubChem CID 160833411) has the molecular formula C37H28Cl2N8O2 and a molecular weight of 687.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol;N-(3-chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID160833411
Molecular FormulaC37H28Cl2N8O2
Molecular Weight687.59 g/mol
Exact Mass686.17
IUPAC Name3-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol;N-(3-chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1cccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)c1.Oc1cccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H15ClN4O.C18H13ClN4O/c1-25-16-7-2-4-13(10-16)18-19(22-15-6-3-5-14(20)11-15)24-9-8-21-12-17(24)23-18;19-13-4-2-5-14(10-13)21-18-17(12-3-1-6-15(24)9-12)22-16-11-20-7-8-23(16)18/h2-12,22H,1H3;1-11,21,24H
InChIKeySHCHGHODQQSHRY-UHFFFAOYSA-N
XLogP9.30
TPSA113.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.59
LogP ≤ 59.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 53208182
2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;but-2-yne;ethane
CID 143150792
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768
3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 7337977
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
N-(3-methoxyphenyl)-2-pyridin-3-ylimidazo[1,2-c]pyrimidin-3-amine
CID 102512619
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
N-(4-chlorophenyl)-8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-amine;N-(3-fluorophenyl)-8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-amine;2-(3-methoxyphenyl)-8-methyl-N-(3-methylphenyl)imidazo[1,2-a]pyrazin-3-amine;8-methyl-N-(3-methylphenyl)-2-phenylimidazo[1,2-a]pyrazin-3-amine;3-N-(2-phenylimidazo[1,2-a]pyrazin-3-yl)benzene-1,3-diamine
CID 158728767
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207883
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzamide
CID 53207762
4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
CID 135649800
N-(3,5-dimethylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039920

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)c1.Oc1cccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)c1.
What is the InChIKey of 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?
The InChIKey is SHCHGHODQQSHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O.C18H13ClN4O/c1-25-16-7-2-4-13(10-16)18-19(22-15-6-3-5-14(20)11-15)24-9-8-21-12-17(24)23-18;19-13-4-2-5-14(10-13)21-18-17(12-3-1-6-15(24)9-12)22-16-11-20-7-8-23(16)18/h2-12,22H,1H3;1-11,21,24H.
What are the key properties of 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?
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 has a molecular weight of 687.59 g/mol, XLogP of 9.30, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160833411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).