3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C16H14FN7S — CID 71193449

IUPAC3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESFCn1cc(-c2cnc3c(Nc4cc(C5CC5)ns4)nccn23)cn1
InChIInChI=1S/C16H14FN7S/c17-9-23-8-11(6-20-23)13-7-19-16-15(18-3-4-24(13)16)21-14-5-12(22-25-14)10-1-2-10/h3-8,10H,1-2,9H2,(H,18,21)
InChIKeyLIWYQUJRXNJRIZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.60
Rot. Bonds5

About 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 71193449) has the molecular formula C16H14FN7S and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID71193449
Molecular FormulaC16H14FN7S
Molecular Weight355.40 g/mol
Exact Mass355.10
IUPAC Name3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESFCn1cc(-c2cnc3c(Nc4cc(C5CC5)ns4)nccn23)cn1
InChIInChI=1S/C16H14FN7S/c17-9-23-8-11(6-20-23)13-7-19-16-15(18-3-4-24(13)16)21-14-5-12(22-25-14)10-1-2-10/h3-8,10H,1-2,9H2,(H,18,21)
InChIKeyLIWYQUJRXNJRIZ-UHFFFAOYSA-N
XLogP3.60
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 71193449) is 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is FCn1cc(-c2cnc3c(Nc4cc(C5CC5)ns4)nccn23)cn1.
What is the InChIKey of 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is LIWYQUJRXNJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7S/c17-9-23-8-11(6-20-23)13-7-19-16-15(18-3-4-24(13)16)21-14-5-12(22-25-14)10-1-2-10/h3-8,10H,1-2,9H2,(H,18,21).
What are the key properties of 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 355.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-[1-(fluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 71193449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).