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

C19H22N8O2S2 — CID 56679965

IUPACN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCN(S(C)(=O)=O)CC5)ns4)nccn23)cn1
InChIInChI=1S/C19H22N8O2S2/c1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,23)
InChIKeyIJXKSFMGCXZEEN-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.47
Rot. Bonds5

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

N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine (PubChem CID 56679965) has the molecular formula C19H22N8O2S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
PubChem CID56679965
Molecular FormulaC19H22N8O2S2
Molecular Weight458.57 g/mol
Exact Mass458.13
IUPAC NameN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCN(S(C)(=O)=O)CC5)ns4)nccn23)cn1
InChIInChI=1S/C19H22N8O2S2/c1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,23)
InChIKeyIJXKSFMGCXZEEN-UHFFFAOYSA-N
XLogP2.47
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine (CID 56679965) is N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine is Cn1cc(-c2cnc3c(Nc4cc(C5CCN(S(C)(=O)=O)CC5)ns4)nccn23)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?
The InChIKey is IJXKSFMGCXZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2S2/c1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine?
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine has a molecular weight of 458.57 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 56679965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).