3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C19H15FN8S — CID 25145568

IUPAC3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccc(F)cn3)ns2)n1
InChIInChI=1S/C19H15FN8S/c1-11-10-28-16(12-6-23-24-7-12)9-22-19(28)18(25-11)26-17-5-15(27-29-17)4-14-3-2-13(20)8-21-14/h2-3,5-10H,4H2,1H3,(H,23,24)(H,25,26)
InChIKeyUQRIWYJCIHLDPZ-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.75
Rot. Bonds5

About 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25145568) has the molecular formula C19H15FN8S and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25145568
Molecular FormulaC19H15FN8S
Molecular Weight406.45 g/mol
Exact Mass406.11
IUPAC Name3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccc(F)cn3)ns2)n1
InChIInChI=1S/C19H15FN8S/c1-11-10-28-16(12-6-23-24-7-12)9-22-19(28)18(25-11)26-17-5-15(27-29-17)4-14-3-2-13(20)8-21-14/h2-3,5-10H,4H2,1H3,(H,23,24)(H,25,26)
InChIKeyUQRIWYJCIHLDPZ-UHFFFAOYSA-N
XLogP3.75
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25145568) is 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccc(F)cn3)ns2)n1.
What is the InChIKey of 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is UQRIWYJCIHLDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN8S/c1-11-10-28-16(12-6-23-24-7-12)9-22-19(28)18(25-11)26-17-5-15(27-29-17)4-14-3-2-13(20)8-21-14/h2-3,5-10H,4H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 406.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25145568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).