3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C20H17N7 — CID 143460489

IUPAC3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccc(C5=CN=CC5)c4)nccn23)cn1
InChIInChI=1S/C20H17N7/c1-26-13-16(11-24-26)18-12-23-20-19(22-7-8-27(18)20)25-17-4-2-3-14(9-17)15-5-6-21-10-15/h2-4,6-13H,5H2,1H3,(H,22,25)
InChIKeyJPINJVJLJOKMQD-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.69
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143460489) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID143460489
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccc(C5=CN=CC5)c4)nccn23)cn1
InChIInChI=1S/C20H17N7/c1-26-13-16(11-24-26)18-12-23-20-19(22-7-8-27(18)20)25-17-4-2-3-14(9-17)15-5-6-21-10-15/h2-4,6-13H,5H2,1H3,(H,22,25)
InChIKeyJPINJVJLJOKMQD-UHFFFAOYSA-N
XLogP3.69
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 143460489) is 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4cccc(C5=CN=CC5)c4)nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JPINJVJLJOKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-26-13-16(11-24-26)18-12-23-20-19(22-7-8-27(18)20)25-17-4-2-3-14(9-17)15-5-6-21-10-15/h2-4,6-13H,5H2,1H3,(H,22,25).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 355.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[3-(3H-pyrrol-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143460489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).