3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

C24H30N8O2S2 — CID 89360215

About 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 89360215) has the molecular formula C24H30N8O2S2 and a molecular weight of 526.69 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 89360215
• Molecular Formula: C24H30N8O2S2
• Molecular Weight: 526.69 g/mol
• Exact Mass: 526.19
• IUPAC Name: 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
• SMILES: CC1C=C(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)SC1S(=O)(=O)N1CCCC1
• InChI: InChI=1S/C24H30N8O2S2/c1-16-10-21(35-24(16)36(33,34)31-8-3-4-9-31)29-22-23-26-13-20(18-12-27-30(2)14-18)32(23)15-19(28-22)17-6-5-7-25-11-17/h6,10,12-16,24-25H,3-5,7-9,11H2,1-2H3,(H,28,29)
• InChIKey: GGJKKLVDNQPZNR-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.69
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 89360215) is 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is CC1C=C(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)SC1S(=O)(=O)N1CCCC1.

What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is GGJKKLVDNQPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2S2/c1-16-10-21(35-24(16)36(33,34)31-8-3-4-9-31)29-22-23-26-13-20(18-12-27-30(2)14-18)32(23)15-19(28-22)17-6-5-7-25-11-17/h6,10,12-16,24-25H,3-5,7-9,11H2,1-2H3,(H,28,29).

What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 526.69 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyrrolidin-1-ylsulfonyl-2,3-dihydrothiophen-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 89360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).