2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine

C25H25ClN4O — CID 42601027

IUPAC2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C25H25ClN4O/c1-31-22-11-10-18(15-21(22)17-6-5-7-19(26)14-17)24-25(28-20-8-3-2-4-9-20)30-13-12-27-16-23(30)29-24/h5-7,10-16,20,28H,2-4,8-9H2,1H3
InChIKeyNKJXYZZRXFXFTN-UHFFFAOYSA-N
MW432.96 g/mol
LogP6.47
Rot. Bonds5

About 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine

2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine (PubChem CID 42601027) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine
PubChem CID42601027
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C25H25ClN4O/c1-31-22-11-10-18(15-21(22)17-6-5-7-19(26)14-17)24-25(28-20-8-3-2-4-9-20)30-13-12-27-16-23(30)29-24/h5-7,10-16,20,28H,2-4,8-9H2,1H3
InChIKeyNKJXYZZRXFXFTN-UHFFFAOYSA-N
XLogP6.47
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine (CID 42601027) is 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine is COc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is NKJXYZZRXFXFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-31-22-11-10-18(15-21(22)17-6-5-7-19(26)14-17)24-25(28-20-8-3-2-4-9-20)30-13-12-27-16-23(30)29-24/h5-7,10-16,20,28H,2-4,8-9H2,1H3.
What are the key properties of 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine?
2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 432.96 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-4-methoxyphenyl]-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 42601027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).