3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine

C16H14N6O2S — CID 58873871

IUPAC3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine
SMILESCn1cc(-c2cnc3c(S(C)(=O)=O)nc(-c4cccnc4)cn23)cn1
InChIInChI=1S/C16H14N6O2S/c1-21-9-12(7-19-21)14-8-18-15-16(25(2,23)24)20-13(10-22(14)15)11-4-3-5-17-6-11/h3-10H,1-2H3
InChIKeyKVCVPNIYFVIJPN-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.60
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine

3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine (PubChem CID 58873871) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine
PubChem CID58873871
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine
SMILESCn1cc(-c2cnc3c(S(C)(=O)=O)nc(-c4cccnc4)cn23)cn1
InChIInChI=1S/C16H14N6O2S/c1-21-9-12(7-19-21)14-8-18-15-16(25(2,23)24)20-13(10-22(14)15)11-4-3-5-17-6-11/h3-10H,1-2H3
InChIKeyKVCVPNIYFVIJPN-UHFFFAOYSA-N
XLogP1.60
TPSA95.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine (CID 58873871) is 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine is Cn1cc(-c2cnc3c(S(C)(=O)=O)nc(-c4cccnc4)cn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine?
The InChIKey is KVCVPNIYFVIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-21-9-12(7-19-21)14-8-18-15-16(25(2,23)24)20-13(10-22(14)15)11-4-3-5-17-6-11/h3-10H,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine?
3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine has a molecular weight of 354.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 58873871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).