(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C20H23FN4O — CID 120930197

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CC2(CCC2)c2c(F)cccc21)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H23FN4O/c21-15-4-1-5-16-17(15)19(6-2-7-19)14-24(16)18(26)20(8-11-22-12-9-20)25-13-3-10-23-25/h1,3-5,10,13,22H,2,6-9,11-12,14H2
InChIKeyOCHVGVXCQKKYBW-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.57
Rot. Bonds2

About (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone

(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120930197) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120930197
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CC2(CCC2)c2c(F)cccc21)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H23FN4O/c21-15-4-1-5-16-17(15)19(6-2-7-19)14-24(16)18(26)20(8-11-22-12-9-20)25-13-3-10-23-25/h1,3-5,10,13,22H,2,6-9,11-12,14H2
InChIKeyOCHVGVXCQKKYBW-UHFFFAOYSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone with MolForge

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Related Compounds

1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
CID 119312884
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196
(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129369998
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119765153
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932670
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 166233205
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012

Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120930197) is (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone is O=C(N1CC2(CCC2)c2c(F)cccc21)C1(n2cccn2)CCNCC1.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is OCHVGVXCQKKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-15-4-1-5-16-17(15)19(6-2-7-19)14-24(16)18(26)20(8-11-22-12-9-20)25-13-3-10-23-25/h1,3-5,10,13,22H,2,6-9,11-12,14H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 354.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120930197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).