3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C17H19N7S — CID 58873815

IUPAC3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCC(C)Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C17H19N7S/c1-11(2)6-13-7-15(25-22-13)21-16-17-19-9-14(24(17)5-4-18-16)12-8-20-23(3)10-12/h4-5,7-11H,6H2,1-3H3,(H,18,21)
InChIKeyUYMSIKASKJFXTE-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.53
Rot. Bonds5

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

3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 58873815) has the molecular formula C17H19N7S and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID58873815
Molecular FormulaC17H19N7S
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC Name3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCC(C)Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C17H19N7S/c1-11(2)6-13-7-15(25-22-13)21-16-17-19-9-14(24(17)5-4-18-16)12-8-20-23(3)10-12/h4-5,7-11H,6H2,1-3H3,(H,18,21)
InChIKeyUYMSIKASKJFXTE-UHFFFAOYSA-N
XLogP3.53
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 58873815) is 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CC(C)Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is UYMSIKASKJFXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7S/c1-11(2)6-13-7-15(25-22-13)21-16-17-19-9-14(24(17)5-4-18-16)12-8-20-23(3)10-12/h4-5,7-11H,6H2,1-3H3,(H,18,21).
What are the key properties of 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 353.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 58873815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).