7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

C20H25N7O2S — CID 97440470

IUPAC7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C20H25N7O2S/c1-24-10-11-27-18(16-12-23-25(2)15-16)14-22-19(27)20(24)5-8-26(9-6-20)30(28,29)17-4-3-7-21-13-17/h3-4,7,12-15H,5-6,8-11H2,1-2H3
InChIKeyMZGGMWZLXFIBKO-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.30
Rot. Bonds3

About 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (PubChem CID 97440470) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].

Molecular Properties

Compound Name7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
PubChem CID97440470
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C20H25N7O2S/c1-24-10-11-27-18(16-12-23-25(2)15-16)14-22-19(27)20(24)5-8-26(9-6-20)30(28,29)17-4-3-7-21-13-17/h3-4,7,12-15H,5-6,8-11H2,1-2H3
InChIKeyMZGGMWZLXFIBKO-UHFFFAOYSA-N
XLogP1.30
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The IUPAC name of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (CID 97440470) is 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].
What is the SMILES notation for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The canonical SMILES for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(=O)(=O)c1cccnc1)CC2.
What is the InChIKey of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The InChIKey is MZGGMWZLXFIBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-24-10-11-27-18(16-12-23-25(2)15-16)14-22-19(27)20(24)5-8-26(9-6-20)30(28,29)17-4-3-7-21-13-17/h3-4,7,12-15H,5-6,8-11H2,1-2H3.
What are the key properties of 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] has a molecular weight of 427.53 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1-methylpyrazol-4-yl)-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is sourced from PubChem (CID 97440470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).