1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

C19H28N6O2S — CID 97440509

IUPAC1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C19H28N6O2S/c1-3-23-10-11-25-17(15-12-21-22(2)14-15)13-20-18(25)19(23)6-8-24(9-7-19)28(26,27)16-4-5-16/h12-14,16H,3-11H2,1-2H3
InChIKeyQWIACAHTKMBBRN-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.40
Rot. Bonds4

About 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (PubChem CID 97440509) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].

Molecular Properties

Compound Name1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
PubChem CID97440509
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C19H28N6O2S/c1-3-23-10-11-25-17(15-12-21-22(2)14-15)13-20-18(25)19(23)6-8-24(9-7-19)28(26,27)16-4-5-16/h12-14,16H,3-11H2,1-2H3
InChIKeyQWIACAHTKMBBRN-UHFFFAOYSA-N
XLogP1.40
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The IUPAC name of 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (CID 97440509) is 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].
What is the SMILES notation for 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The canonical SMILES for 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The InChIKey is QWIACAHTKMBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-3-23-10-11-25-17(15-12-21-22(2)14-15)13-20-18(25)19(23)6-8-24(9-7-19)28(26,27)16-4-5-16/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] has a molecular weight of 404.54 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropylsulfonyl-7-ethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is sourced from PubChem (CID 97440509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).