1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C22H24N4O — CID 44561400

IUPAC1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCc1nn(-c2ccccn2)cc1CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H24N4O/c1-17-19(15-26(24-17)21-8-4-5-11-23-21)14-25-12-9-22(10-13-25)20-7-3-2-6-18(20)16-27-22/h2-8,11,15H,9-10,12-14,16H2,1H3
InChIKeySFQGQBSIVKZIBM-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.60
Rot. Bonds3

About 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]

1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 44561400) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID44561400
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCc1nn(-c2ccccn2)cc1CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H24N4O/c1-17-19(15-26(24-17)21-8-4-5-11-23-21)14-25-12-9-22(10-13-25)20-7-3-2-6-18(20)16-27-22/h2-8,11,15H,9-10,12-14,16H2,1H3
InChIKeySFQGQBSIVKZIBM-UHFFFAOYSA-N
XLogP3.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 44561400) is 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Cc1nn(-c2ccccn2)cc1CN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is SFQGQBSIVKZIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-19(15-26(24-17)21-8-4-5-11-23-21)14-25-12-9-22(10-13-25)20-7-3-2-6-18(20)16-27-22/h2-8,11,15H,9-10,12-14,16H2,1H3.
What are the key properties of 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 360.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 44561400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).