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

C18H20N8O2S2 — CID 56666399

IUPAC3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCS(=O)(=O)N1CCC(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1
InChIInChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22)
InChIKeyDEYRVWAAPWPOND-UHFFFAOYSA-N
MW444.55 g/mol
LogP2.46
Rot. Bonds5

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

3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 56666399) has the molecular formula C18H20N8O2S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID56666399
Molecular FormulaC18H20N8O2S2
Molecular Weight444.55 g/mol
Exact Mass444.12
IUPAC Name3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCS(=O)(=O)N1CCC(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1
InChIInChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22)
InChIKeyDEYRVWAAPWPOND-UHFFFAOYSA-N
XLogP2.46
TPSA121.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 56666399) is 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CS(=O)(=O)N1CCC(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1.
What is the InChIKey of 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is DEYRVWAAPWPOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2S2/c1-30(27,28)25-5-2-12(3-6-25)14-8-16(29-24-14)23-17-18-20-11-15(13-9-21-22-10-13)26(18)7-4-19-17/h4,7-12H,2-3,5-6H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 444.55 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpiperidin-4-yl)-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 56666399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).