6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C24H21N9S — CID 58874058

IUPAC6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(-c4sccc4CN)cn23)cn1
InChIInChI=1S/C24H21N9S/c1-31-13-17(11-28-31)21-12-27-24-23(29-18-2-4-19(5-3-18)32-8-7-26-15-32)30-20(14-33(21)24)22-16(10-25)6-9-34-22/h2-9,11-15H,10,25H2,1H3,(H,29,30)
InChIKeyOTLMYIWLUSVRKC-UHFFFAOYSA-N
MW467.56 g/mol
LogP4.25
Rot. Bonds6

About 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58874058) has the molecular formula C24H21N9S and a molecular weight of 467.56 g/mol. Its IUPAC name is 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58874058
Molecular FormulaC24H21N9S
Molecular Weight467.56 g/mol
Exact Mass467.16
IUPAC Name6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(-c4sccc4CN)cn23)cn1
InChIInChI=1S/C24H21N9S/c1-31-13-17(11-28-31)21-12-27-24-23(29-18-2-4-19(5-3-18)32-8-7-26-15-32)30-20(14-33(21)24)22-16(10-25)6-9-34-22/h2-9,11-15H,10,25H2,1H3,(H,29,30)
InChIKeyOTLMYIWLUSVRKC-UHFFFAOYSA-N
XLogP4.25
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 58874058) is 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(-c4sccc4CN)cn23)cn1.
What is the InChIKey of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OTLMYIWLUSVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9S/c1-31-13-17(11-28-31)21-12-27-24-23(29-18-2-4-19(5-3-18)32-8-7-26-15-32)30-20(14-33(21)24)22-16(10-25)6-9-34-22/h2-9,11-15H,10,25H2,1H3,(H,29,30).
What are the key properties of 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 467.56 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)thiophen-2-yl]-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58874058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).