3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

C21H25FN6 — CID 155873723

IUPAC3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C21H25FN6/c1-26-9-10-28-19(17-3-2-4-18(22)11-17)14-23-20(28)21(26)5-7-27(8-6-21)15-16-12-24-25-13-16/h2-4,11-14H,5-10,15H2,1H3,(H,24,25)
InChIKeyHRFBJBPTOIJHTH-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.85
Rot. Bonds3

About 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (PubChem CID 155873723) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
PubChem CID155873723
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C21H25FN6/c1-26-9-10-28-19(17-3-2-4-18(22)11-17)14-23-20(28)21(26)5-7-27(8-6-21)15-16-12-24-25-13-16/h2-4,11-14H,5-10,15H2,1H3,(H,24,25)
InChIKeyHRFBJBPTOIJHTH-UHFFFAOYSA-N
XLogP2.85
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The IUPAC name of 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (CID 155873723) is 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].
What is the SMILES notation for 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The canonical SMILES for 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1cn[nH]c1)CC2.
What is the InChIKey of 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The InChIKey is HRFBJBPTOIJHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-26-9-10-28-19(17-3-2-4-18(22)11-17)14-23-20(28)21(26)5-7-27(8-6-21)15-16-12-24-25-13-16/h2-4,11-14H,5-10,15H2,1H3,(H,24,25).
What are the key properties of 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] has a molecular weight of 380.47 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-methyl-1'-(1H-pyrazol-4-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is sourced from PubChem (CID 155873723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).