N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C23H22N6OS2 — CID 143670529

IUPACN-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCc1cc(-c2cnc3c(Nc4cc(C)ns4)nc(Sc4ccc(OC)cc4)cn23)c[nH]1
InChIInChI=1S/C23H22N6OS2/c1-4-16-10-15(11-24-16)19-12-25-23-22(26-20-9-14(2)28-32-20)27-21(13-29(19)23)31-18-7-5-17(30-3)6-8-18/h5-13,24H,4H2,1-3H3,(H,26,27)
InChIKeySMYGOJKRCOKZDL-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.96
Rot. Bonds7

About N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 143670529) has the molecular formula C23H22N6OS2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID143670529
Molecular FormulaC23H22N6OS2
Molecular Weight462.60 g/mol
Exact Mass462.13
IUPAC NameN-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCc1cc(-c2cnc3c(Nc4cc(C)ns4)nc(Sc4ccc(OC)cc4)cn23)c[nH]1
InChIInChI=1S/C23H22N6OS2/c1-4-16-10-15(11-24-16)19-12-25-23-22(26-20-9-14(2)28-32-20)27-21(13-29(19)23)31-18-7-5-17(30-3)6-8-18/h5-13,24H,4H2,1-3H3,(H,26,27)
InChIKeySMYGOJKRCOKZDL-UHFFFAOYSA-N
XLogP5.96
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 143670529) is N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is CCc1cc(-c2cnc3c(Nc4cc(C)ns4)nc(Sc4ccc(OC)cc4)cn23)c[nH]1.
What is the InChIKey of N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is SMYGOJKRCOKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS2/c1-4-16-10-15(11-24-16)19-12-25-23-22(26-20-9-14(2)28-32-20)27-21(13-29(19)23)31-18-7-5-17(30-3)6-8-18/h5-13,24H,4H2,1-3H3,(H,26,27).
What are the key properties of N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 462.60 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 143670529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).