N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

C22H20N6O2 — CID 59473650

IUPACN-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(Nc2nc(-c3ccc4cnn(C)c4c3)cn3ccnc23)cc1OC
InChIInChI=1S/C22H20N6O2/c1-27-18-10-14(4-5-15(18)12-24-27)17-13-28-9-8-23-22(28)21(26-17)25-16-6-7-19(29-2)20(11-16)30-3/h4-13H,1-3H3,(H,25,26)
InChIKeyPISOXWXHEGHJBX-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.04
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473650) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473650
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(Nc2nc(-c3ccc4cnn(C)c4c3)cn3ccnc23)cc1OC
InChIInChI=1S/C22H20N6O2/c1-27-18-10-14(4-5-15(18)12-24-27)17-13-28-9-8-23-22(28)21(26-17)25-16-6-7-19(29-2)20(11-16)30-3/h4-13H,1-3H3,(H,25,26)
InChIKeyPISOXWXHEGHJBX-UHFFFAOYSA-N
XLogP4.04
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 59473650) is N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is COc1ccc(Nc2nc(-c3ccc4cnn(C)c4c3)cn3ccnc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PISOXWXHEGHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-27-18-10-14(4-5-15(18)12-24-27)17-13-28-9-8-23-22(28)21(26-17)25-16-6-7-19(29-2)20(11-16)30-3/h4-13H,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 400.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(1-methylindazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).