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

C22H24N4O — CID 44561401

IUPAC1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCc1nn(-c2cccnc2)cc1CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H24N4O/c1-17-19(15-26(24-17)20-6-4-10-23-13-20)14-25-11-8-22(9-12-25)21-7-3-2-5-18(21)16-27-22/h2-7,10,13,15H,8-9,11-12,14,16H2,1H3
InChIKeyVIHHHGZXTNCMDC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.60
Rot. Bonds3

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

1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 44561401) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID44561401
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCc1nn(-c2cccnc2)cc1CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C22H24N4O/c1-17-19(15-26(24-17)20-6-4-10-23-13-20)14-25-11-8-22(9-12-25)21-7-3-2-5-18(21)16-27-22/h2-7,10,13,15H,8-9,11-12,14,16H2,1H3
InChIKeyVIHHHGZXTNCMDC-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

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

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Related Compounds

1'-[4-(1-pyridin-4-ylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 9980526
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1'-(Cyclohexylmethyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25015387
1'-(3-Methylbutyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060809
1-Phenyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060811
1-Methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25061063
1'-[[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561529
1'-(3-Methylbut-3-enyl)-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 54758206
1'-Benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060565
1'-Benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060807
1-(3,5-dichlorophenyl)-1'-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402297
(2R,6R)-4-[(4-fluorophenyl)methyl]-10-(3-fluoro-2-pyridinyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86296201

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 44561401) is 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Cc1nn(-c2cccnc2)cc1CN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is VIHHHGZXTNCMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-19(15-26(24-17)20-6-4-10-23-13-20)14-25-11-8-22(9-12-25)21-7-3-2-5-18(21)16-27-22/h2-7,10,13,15H,8-9,11-12,14,16H2,1H3.
What are the key properties of 1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[(3-methyl-1-pyridin-3-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-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 44561401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).